Pure infiniteness, stability and C-algebras of

微晶纤维素的极限聚合度的英文单词全文共3篇示例，供读者参考篇1The Limiting Degree of Polymerization of Microcrystalline CelluloseIntroductionMicrocrystalline cellulose is a renewable and sustainable material that is widely used in various industries such as pharmaceuticals, food, cosmetics, and textiles. One important property of microcrystalline cellulose is its degree of polymerization, which refers to the number of glucose units in the cellulose chain. The degree of polymerization of microcrystalline cellulose can have a significant impact on its physical and chemical properties, and therefore it is important to determine the limiting degree of polymerization of this material.Factors Affecting the Degree of PolymerizationThe degree of polymerization of microcrystalline cellulose can be influenced by various factors such as the source of cellulose, the method of extraction and purification, the conditions of hydrolysis, and the degree of crystallinity. Forexample, cellulose from different sources such as wood, cotton, or bamboo may have different degrees of polymerization due to differences in the cellulose structure. Similarly, the method of extraction and purification can also affect the degree of polymerization as impurities and processing conditions may impact the cellulose chain length.Methods for Determining the Limiting Degree of PolymerizationThere are several methods for determining the limiting degree of polymerization of microcrystalline cellulose. One common method is gel permeation chromatography (GPC), which separates cellulose chains based on their size and provides information on the distribution of chain lengths. Another method is viscometry, which measures the intrinsic viscosity of cellulose solutions and can be used to calculate the degree of polymerization. Additionally, techniques such as X-ray diffraction and solid-state NMR spectroscopy can provide information on the crystalline structure of cellulose and its impact on the degree of polymerization.Importance of Limiting Degree of PolymerizationThe limiting degree of polymerization of microcrystalline cellulose is important as it can affect the properties andperformance of products made from this material. For example, in pharmaceutical applications, the degree of polymerization can impact the flowability, compressibility, and disintegration properties of tablets made from microcrystalline cellulose. In food applications, the degree of polymerization can influence the texture, mouthfeel, and stability of products such as sauces, dressings, and baked goods. Therefore, understanding and controlling the limiting degree of polymerization of microcrystalline cellulose is essential for ensuring the quality and consistency of products.ConclusionIn conclusion, the limiting degree of polymerization of microcrystalline cellulose plays a crucial role in determining its properties and performance in various applications. Factors such as the source of cellulose, extraction and purification methods, and crystallinity can influence the degree of polymerization of this material. Methods such as GPC, viscometry, X-ray diffraction, and solid-state NMR spectroscopy can be used to determine the limiting degree of polymerization of microcrystalline cellulose. By understanding and controlling the degree of polymerization, manufacturers can optimize the performance of products and ensure consistency in quality.篇2Title: The Limit Aggregate Degree of Microcrystalline CelluloseIntroductionMicrocrystalline cellulose, also known as MCC, is a type of purified cellulose derived from natural wood pulp. It is widely used in pharmaceuticals, food products, and other industries as a non-toxic and biodegradable additive. One of the key characteristics of MCC is its aggregate degree, which refers to the extent to which individual cellulose particles are bound together. Understanding the limit aggregate degree of MCC is crucial for optimizing its properties and applications.Factors affecting aggregate degreeSeveral factors can influence the aggregate degree of microcrystalline cellulose. The primary factor is the manufacturing process used to produce MCC. Different processing techniques, such as acid hydrolysis or mechanical grinding, can result in varying degrees of aggregation in the final product. In addition, the particle size, shape, and surface properties of MCC particles can also impact their tendency toaggregate. For example, smaller particles tend to form tighter aggregates compared to larger particles.Measurement techniquesThere are several methods available for measuring the aggregate degree of microcrystalline cellulose. One common approach is dynamic light scattering, which can provide information about the size, distribution, and stability of MCC aggregates. Another widely used technique is electron microscopy, which allows for direct visualization of the structure of MCC particles and aggregates. Additionally, methods such as rheology and spectroscopy can be used to study the mechanical and chemical properties of MCC aggregates.Importance of limit aggregate degreeThe limit aggregate degree of microcrystalline cellulose is critical for controlling its behavior in various applications. For example, in pharmaceutical formulations, the degree of aggregation can affect the flow properties, compressibility, and disintegration of MCC-based tablets. In food products, the aggregate degree can impact the texture, stability, and mouthfeel of MCC-containing formulations. By understanding and optimizing the aggregate degree of MCC, manufacturerscan tailor its properties to meet specific requirements in different industries.ConclusionIn conclusion, the limit aggregate degree of microcrystalline cellulose is a key parameter that influences its performance in various applications. By studying the factors that affect aggregation, employing appropriate measurement techniques, and controlling the aggregate degree, manufacturers can optimize the properties of MCC for specific uses. Further research into the relationship between aggregate degree and the properties of MCC will continue to enhance the understanding and utilization of this versatile cellulose material.篇3Microcrystalline cellulose (MCC) is a widely used excipient in pharmaceutical formulations due to its unique properties such as high surface area, low density, and excellent compressibility. MCC is produced by acid hydrolysis of purified cellulose, resulting in a network of microcrystalline particles with a high degree of polymerization.Polymerization refers to the process of joining together monomers to form a polymer chain. In the case of cellulose,polymerization involves the repeated linking of glucose units to form long chains. The degree of polymerization (DP) of cellulose refers to the number of glucose units in each polymer chain. The higher the DP, the longer the cellulose chain and the larger the molecule size.The DP of MCC is typically in the range of 200-250, which is significantly lower than that of native cellulose. This low DP is achieved through the controlled hydrolysis process, which breaks down the cellulose chains into shorter, microcrystalline particles. The limited polymerization of MCC is essential for its functional properties in pharmaceutical applications.The low DP of MCC plays a crucial role in its compressibility and flow properties. The shorter polymer chains allow for tighter packing of the particles, resulting in higher bulk density and improved flow characteristics. The high surface area of MCC particles also facilitates better binding with active pharmaceutical ingredients, enhancing tablet hardness and disintegration.Furthermore, the low DP of MCC contributes to its excellent water absorption capacity and swelling behavior. The reduced polymerization allows for increased porosity within the MCC structure, providing more sites for water adsorption. Thisproperty is particularly advantageous in controlled-release formulations, where the gradual uptake of water helps regulate drug release.In summary, the limited polymerization of microcrystalline cellulose is a key factor in its unique properties and widespread use as a pharmaceutical excipient. The low DP of MCC enables optimal compressibility, flowability, water absorption, and binding capabilities, making it an indispensable ingredient in tablet formulations. Researchers continue to explore ways to control and optimize the polymerization of MCC to further enhance its performance in pharmaceutical applications.。

化学常用英语词汇————————————————————————————————作者：————————————————————————————————日期：?化学常用英语词汇2. Paｒtial Ｐｒｅsｓurｅs 1．The Ｉdｅal－Gas Equａtioｎ理想气体状态方程?分压３．Real Gaｓeｓ: DeviatioｎfroｍIdealＢｅhaviｏr 真实气体:对理想气体行为的偏离４. Ｔhe van derＷaaｌs Equation范德华方程?５.System and Surrｏuｎ6. State aｎd Stａte Fｕｎctiｏns 状态与状态函数dｉｎgs 系统与环境?7．Ｐrocess 过程?８．Ｐhaｓe 相9.Ｔｈe Ｆｉrst Ｌaw of Theｒmoｄｙnamiｃs热力学第一定律10. Ｈeat and Work 热与功?1１. Endothｅrｍic ａnd Exotherｍｉc Prｏｃesseｓ吸热与发热过程?１２. EnｔhａlpieｓoｆＲeacｔioｎs反应热?１３. Hess’s Lａw 盖斯定律?１4.Entｈａlpies of Formatioｎ生成焓１５. ＲeacｔiｏｎRatｅs反应速率?1６. RｅａｃｔiｏｎOｒｄeｒ反应级数18. Acｔｉvation Energy活化能17. Ｒate Coｎｓtanｔs 速率常数?20. Ｒeａctiｏn 1９．TｈｅArｒｈｅｎius Eｑｕation 阿累尼乌斯方程?Mechanismｓ(机制) 反应机理21. Homogｅneoｕs Caｔaｌｙsｉｓ(catalysis英[k?'t?ｌ?s?s］n.催化作用）均相催化剂22．Heｔｅｒogｅnｅous Caｔalｙsｉs 非均相催化剂24. Tｈe EquｉlibriuｍＣoｎstanｔ平衡常数23. Ｅnzymeｓ酶?25．ｔhｅDｉrection oｆReaction 反应方向2６. Le Chatｅlier’s Prｉnciple 列沙特列原理27. Eｆfects of Vｏlumｅ, Pｒesｓure，Tｅmｐerａtuｒe Cｈａｎgｅs and Catal28. Ｓpontaneｏus Pｒocesses ｙｓts体积，压力，温度变化以及催化剂的影响?自发过程(spontanｅouｓ［sp?n?ｔe?nｉ?ｓ] adj.自发的;自然的;天然产生的;无意识的)29. Ｅｎtropy (Sｔaｎｄａrd Entrｏpy) 熵（标准熵）3１. 3０.Ｔhe Ｓecond Lａｗｏf Thermｏdynａmics热力学第二定律?EntropｙChａｎges 熵变?32. StanｄarｄFreｅ－Energy Changeｓ标准自由能变33. Ａcid-Bases酸碱34. ThｅDissｏciation of Wateｒ水离解3５．Tｈe Pｒoｔｏn in Ｗater 水合质子?3６.TheｐHＳcaｌes ｐH 37．Brｏnstｅd-Lowｒy AcidｓandＢases Bronstｅd－Lowry 酸和碱值?39. Conｊｕgａte Aciｄ-Ｂa 38．Ｐrotoｎ-Trａnsfｅr Reactions 质子转移反应?ｓe Ｐaiｒs 共轭酸碱对41. Leｗi ４0. Ｒelatiｖe Stｒenｇth ｏf Acｉds and Ｂaｓes 酸碱的相对强度?42.Hydrolｙsis ｏf ＭetaｌIons 金属离ｓAcids and Baseｓ路易斯酸碱?子的水解?４3.Buffer Soｌutiｏnｓ缓冲溶液?4４．The Ｃoｍmｏn-Ｉｏn Effects 同离子效应４5. Ｂｕffer Ｃapacity 缓冲容量４6. Ｆormａtiｏn of Ｃoｍplex Ions 配离子的形成?4７．Soｌubilｉtｙ溶解度４8. ThｅSｏｌubｉliｔy-Pｒoduｃt Coｎstａnt Ksp溶度积常数50. Sel 49.Ｐｒｅcｉｐiｔａtion and sｅｐaration of Ionｓ离子的沉淀与分离?ｅｃｔive Pｒecipｉtａtion oｆIons 离子的选择沉淀52. Oxidation N 5１．Oｘidaｔｉon－ReductioｎRｅａctions 氧化还原反应?ｕmber氧化数53. Balａncｉng Oｘidatiｏn-ＲｅdｕcｔioｎEquatiｏnｓ氧化还原反应方程的配平56. Vｏltaic Cell 伏54．Ｈａlf-Ｒeａctｉon 半反应?55．Galvani Cell原电池?特电池57．Ｃeｌl EMF 电池电动势59.Oｘidizing 58. ＳtandaｒｄEleｃｔrｏde Poteｎtｉａｌs 标准电极电势?ａnd Reducing Agents氧化剂和还原剂６0.Ｔhe Ｎeｒnst Equａtion能斯特方程61. Elecｔｒolｙsis 电解6２．Ｔｈe WavｅＢeｈavior of Eｌectrons 电子的波动性６３. Boｈr’ｓMoｄｅｌoｆＴｈe Hｙdrｏgｅn Atom氢原子的波尔模型?6４. Line Ｓpｅctra 线光谱65. Ｑｕaｎtum Numbeｒｓ量子数6６. Eｌectron Sｐin 电子自旋67. Atｏmic Orbital原子轨道68. Tｈｅs (p, d, f) Ｏｒｂitaｌs(p,d,ｆ)轨道69. Maｎy-Elecｔron Atomｓ多电子原子71. Ｔhe Ｐaｕli Exｃlusiｏn Pｒiｎcip ７0. Eneｒgies of Orｂitａｌ轨道能量?ｌe 泡林不相容原理?７２. EleｃｔroｎConｆiguratｉoｎｓ电子构型73. ＴhｅＰeriodic Ｔaｂle 周期表75．Group 族?７6. Iｓotoｐeｓ, Ａtｏmic Numｂerｓ, ａnd ７4.Roｗ行?Mass Ｎuｍberｓ同位素,原子数，质量数78.Ｒ７7. Ｐeｒiodic ProｐeｒｔieｓoｆthｅEｌemenｔs 元素的周期律?ａｄiuｓof Atoms原子半径７9．Ionｉzａtion Energｙ电离能80. Electronegａtivｉty 电负性81. EｆfeｃtivｅNｕclear Chaｒge有效核电荷?８2.Eleｃtｒon Ａｆfｉn ｉｔies 亲电性8３. Ｍetals 金属?８4. Ｎｏnmetals 非金属85. Vaｌeｎce Boｎd Ｔhｅorｙ价键理论87. Orｂital Overlap 轨道重叠?88．Muｌti 8６．Ｃovaｌenｃe Bond 共价键?89. HybriｄOrｂｉtａｌ杂化轨道ｐleＢｏnds 重键?90．The ＶSEPR Moｄel 价层电子对互斥理论91.Molecuｌａr Geomeｔries 分子空间构型93. Diatomic Mｏlｅculeｓ双原子分子92．Moleｃular Ｏrｂital分子轨道?94. Bond Lenｇtｈ键长95. Ｂond Ordeｒ键级96. Ｂｏnd Ａｎgles 键角98. Ｂond Poｌarｉｔy 键矩?９9．DipolｅM 97．Bond Enｔhalpｉｅs 键能?1０１.Ｐｏmentｓ偶极矩?１00. ＰolaｒｉtｙMolecuｌes 极性分子?102. Ｃｒyｓtａl Sｔructure 晶体结构olyatomic Moｌecules 多原子分子?104. Ｃｌｏｓe Packｉnｇof Spheres 球密堆积103. Nｏn-Ｃrystal 非晶体??105. Mｅｔaｌｌic Solｉｄs 金属晶体10６. Metａllic Bonｄ金属键1０７.Allｏys合金?１０８. Ｉonic Ｓoｌids离子晶体109. Iｏn-Dｉpoｌe Forces 离子偶极力?１１0. Mｏｌeculａr Forces 分子间力?111.IntermoｌｅcｕｌａｒForcｅs分子间作用力1１2. Ｈydrogen Bｏndiｎg 氢键11３. Ｃovaｌent－Nｅtｗork Soliｄｓ原子晶体１１4. Cｏmpounｄs化合物?1１5. The Ｎｏmｅnclａturｅ, Ｃomｐｏｓiｔionand Struｃｔuｒe oｆComplｅxes 配合物的命名,组成和结构?１16. Chaｒges，Cｏordiｎation Nｕmｂeｒs, ａnd Geomeｔrｉｅｓ电荷数、配位数、及几何构型117. Ｃheｌateｓ螯合物1１8. Iｓomerism异构现象11９.Structｕral Iｓomerism结构异构?1２0.Sｔｅrｅoiｓoｍｅrｉsm 立体异构?121. Magnetism磁性122. Ｅｌectron Configｕｒations in Ｏctａhｅdral Compｌexes 八面体构型配合123. Teｔｒaｈeｄrａl andＳqｕａre-pｌanar Coｍplexes 四物的电子分布?面体和平面四边形配合物?１24.Gｅneｒal Chａｒaｃtｅristiｃs 共性126.Alｋali Metaｌs 碱金属1２５．s－BlocｋEleｍeｎｔs s区元素?12７. Ａlｋalｉne Earth Metaｌs 碱土金属?１２８．Hydrides 氢化物129.Ｏｘideｓ氧化物１３0．Pｅroｘides and Superoxides 过氧化物和超氧化物?１31. Ｈyｄｒｏxidｅs 氢氧化物１3２. Salｔs 盐133. p－Ｂloｃk Eｌｅmentｓp区元素１34. Boｒｏn Group (Ｂoron, Aluminｉum, Gａllium,Iｎdium, Thａｌliuｍ) 硼族（硼，铝,镓,铟，铊)?１35．Borａne 硼烷136. ＣａrbｏｎGroup(Cａrbｏn, Sｉlicｏｎ, Geｒmａnium, Ｔin,Lead）137．Graｐhｉte, CａｒboｎMonoxｉｄe, Ｃa 碳族（碳，硅，锗，锡，铅）?138. Carboｎｉc Aｃｉｄ, CａｒｂoｎＤioxidｅ石墨,一氧化碳,二氧化碳?13. Oｃcurreｎce and rbonaｔes aｎｄＣaｒｂideｓ碳酸，碳酸盐，碳化物?9Ｐrｅparaｔｉon ｏf Ｓilicｏn硅的存在和制备140. Ｓｉlicic Aciｄ,Silicatｅs 硅酸，硅酸盐1４1. Nitroｇen Gｒouｐ(Pｈosphoｒus，Arsｅniｃ, Aｎtimoｎy, aｎd Bisｍuth)氮族(磷，砷,锑，铋)142. Aｍmonia, NｉtriｃAciｄ, PｈosｐhoriｃAcｉd氨，硝酸，磷酸?1４3. Ph ｏｓpｈｏｒaｔes, phoｓphｏｒｕs Ｈａlides磷酸盐,卤化磷144. Oxygen Grｏｕp （Oｘygen,Ｓulｆｕr, Seleｎiｕm, and Tｅｌｌuｒium）氧族元素(氧,硫，硒,碲）?1４5. Ozonｅ, Ｈydrogｅn Ｐeｒｏxiｄe 臭氧，过氧化氢?１４6. Sulfides 硫化物14７．Halogｅｎs （Fluoｒｉne, Chlｏriｎｅ, Bｒomｉne, Iodine)卤素(氟,氯,溴,碘)14９. The NobｌｅＧａseｓ稀有气148．Halｉdes, Cｈloride 卤化物,氯化物?体151. d-Block elｅmeｎts d区元150.Ｎoｂlｅ-Gas Compounds 稀有气体化合物?素?１52. Transition Meｔals 过渡金属153. PotasｓｉuｍDiｃhrｏmatｅ重铬酸钾?１5４.ＰｏtａssiuｍPｅrmａnganａte 高锰酸钾155. Irｏn Copper ZinｃMercury 铁,铜,锌,汞?１5６. f-BlｏcｋElemeｎtｓf区元素?１５nthanidｅs镧系元素15８．Ｒａdioaｃtiｖitｙ放射性159. Nuclear Ｃheｍｉstry 核化学161. ＮuｃlearＦusioｎ核聚变160．NｕclｅａｒFｉssion核裂变?162．anａlｙtｉcaｌcheｍｉsｔry 分析化学１63. qualiｔａｔive anａlysｉs 定性分析?164．quantｉtative analysｉs 定量分析166. instruｍeｎtaｌanalysｉｓ仪器分析16５. ｃhemical aｎalysis 化学分析?1６7. titｒimetｒy 滴定分析1６8. ｇｒａｖｉmetriｃanalyｓis 重量分析法1７０. chｒomａtｏgraｐhic anａｌysｉs色谱分析?１７1６９. rｅgent试剂?1. prodｕct 产物172.elｅctroｃhemical aｎalysis电化学分析173.oｎ－ｌine anaｌysiｓ在线分析175. ｃhａｒactｅriｓtic 表征174．mａcｒｏanalｙsiｓ常量分析?17６．micro analysiｓ微量分析?１77. ｄeforｍａｔion analysis 形态分析178. sｅｍiｍicroａｎalysis半微量分析?179．systematicａｌｅｒｒor180. ｒoutineａnalｙsiｓ常规分析?１81.rａndｏｍerrｏr偶系统误差?182．arｂitｒaｔion analysｉs 仲裁分析?１83. ｇrｏss error过失误然误差?184. normaｌdistribｕtion 正态分布差?185. accｕrａcy 准确度18６. deｖｉatiｏn偏差187. ｐreｃiｓioｎ精密度18８. relativｅstandaｒd devｉation 相对标准偏差（RSD)189.coefｆiｃient ｖariａｔｉon 变异系数(CV）190. ｃoｎfidence lｅvel 置信水平?１9１. confiｄenｃｅinterval 置信区间?19２. ｓigｎificanｔtest 显著性检验1９4. standard solution 标准溶液１9３．sｉgnifiｃant fiｇure有效数字??195. ｔitraｔiｏn滴定１96.stｏichｉometrｉc point 化学计量点198．ｔiｔｒａｔｉon eｒｒｏr 滴定误差?1 197.end poｉｎt 滴定终点?９9．priｍary ｓtanｄaｒd 基准物质2０0. ａmountｏf subｓtance物质的量?201．stａndardizａtion 标定20２02. cｈemical reaｃtｉｏn化学反应?203. ｃｏncｅntraｔｉｏｎ浓度?４.chemｉcaｌeｑuiｌｉｂriｕm 化学平衡?20５. titer 滴定度?２06. gｅner ａl eqｕaｔion ｆoｒ a chemicａl rｅaｃｔｉoｎ化学反应的通式207．protoｎｔheory of aｃid-bａse 酸碱质子理论2０8. aｃiｄ－bａsｅtiｔｒaｔion 酸碱滴定法?２０９．dissoｃｉaｔiｏn2１0. ｃonjugatｅaｃid－ｂａse ｐａiｒ共轭酸碱conｓｔaｎt 解离常数?对?2１１. aceｔｉc acid 乙酸?２12．ｈydronｉｕm ioｎ水合氢离子2１4. ion-prｏｄucｔconｓtａｎt of water水213．eｌectroｌｙte 电解质?的离子积2１６. ｐroton coｎdition 质子平衡215. ionｉzatiｏn 电离?21８. ｂｕffeｒsｏｌｕｔion 缓冲溶液217．ｚerｏlevｅ零水准?219. mｅthyl ｏraｎgｅ甲基橙220.acid－bａse ｉndicator 酸碱指示剂2２１．phenoｌphtｈaleｉn酚酞22２．ｃoｏrdinatiｏn cｏmpoｕｎd 配位化合物?２23. cenｔｅr ioｎ中心离子２２4．cｕmulative staｂilｉty cｏnstaｎt 累积稳定常数2２５.aｌpｈａcoeffiｃient 酸效应系数2２7. ligaｎｄ配位体2２６.ｏveraｌl stabilitｙｃｏnｓtant总稳定常数?228. eｔhyｌeｎeｄiamine teｔrａaｃeｔiｃacｉd 乙二胺四乙酸23０. cｏoｒdinａtioｎａｔｏ2２9. side reaｃtioｎcoeffｉcient 副反应系数?23２. lone ｐaiｒeleｃ231. cｏｏrdinatiｏn nｕmbｅr 配位数?m 配位原子?tron 孤对电子234. mｅｔal inｄicａtor金属指示剂23３.chelate cｏmｐounｄ螯合物?23５. chelａｔiｎg ａgent 螯合剂237．ｄemａsking 解蔽２３6.maskiｎg 掩蔽?238. ｅｌecｔrｏn电子24１. cataｌｙｓt催化剂2３9. catalysis 催化?24０.oｘidａtiｏｎ氧化?24２. ｒｅduｃtioｎ还原２43．caｔalytic reaction催化反应244. reaｃtion ｒate 反应速率?２４5．electｒodｅpotential电极电势247. ｒｅｄox couｐlｅ氧化还?246．aｃｔｉvation eｎergy 反应的活化能?原电对２48. poｔａssｉuｍperｍanganａte 高锰酸钾249. ｉｏdｉmｅtry 碘量法?2５0. poｔasｓium dichromate 重铬酸钾?２51.252. rｅdｏｘindｉcator 氧化还原指示cerimetrｙ铈量法?２53. oxyｇen cｏnsｕming 耗氧量(OC）２54. chｅmicａl ｏxygen dｅmａｎded化学需氧量(COＤ)２55．dｉｓsolｖed oｘygｅｎ溶解氧（DO)25６. precipｉtａtiｏｎ沉淀反应258. ｈeｔｅrogeneous eqｕｉlibrium oｆiｏｎ257.arｇｅntｉmetry银量法?s 多相离子平衡260. postprecｉpitation 继沉淀２59．ａgｉnｇ陈化?2６1.copｒｅcｉpitatioｎ共沉淀264．decａntatｉｏｎ倾泻法26３. fｉtrａtion 过滤?26２. igniｔion灼烧?２65．cｈemical fａctoｒ化学因数2６6.spectrophotｏmetｒｙ分光光度法?２67．colorimetｒｙ比色分析?2269. abｓorptiviｔy 吸光率６8. ｔraｎｓmｉtｔaｎce透光率?2７０．ｃａlibraｔiｏn cuｒve 校正曲线２7１.ｓtaｎｄard curvｅ标准曲线?２７2. mｏnｏcｈｒomatｏｒ单色器２７3．soｕrce光源２7４. wavｅｌeｎgtｈdispeｒsion 色散２７5．ａbｓoｒptiｏnｃell 吸收池27７. bａtｈochｒoｍｉc ｓhｉf红移27６. detector 检测系统?279．hypｏｃhｒomic shｉft 紫278. Ｍｏｌar absoｒptiｖｉty 摩尔吸光系数?移２80. aｃetylene乙炔282.ａcetylatｉng aｇent 乙酰化剂２8１. etｈylene乙烯?285．ｅtｈyl alcoｈ284.adiethylｅther乙醚?283.acｅtiｃacid 乙酸?ol 乙醇287. β-ｄｉcａrboｎtl compound β–二羰基化合286. acｅｔaldehtdｅ乙醛?物289. biｍoleculａr ｎ２８8. ｂiｍoleculａr eｌｉmiｎatｉon 双分子消除反应?ucleophｉlic subｓtｉtution 双分子亲核取代反应291. ｍolecuｌarｏrbital thｅｏ290. open chaiｎcompound 开链族化合物?ｒｙ分子轨道理论29２. chiｒal molｅcｕle 手性分子?２93.tautoｍｅｒism 互变异构现象?2９4.rｅａcｔion mｅchaｎisｍ反应历程２95. chｅmｉcaｌshift 化学位移296. Ｗａldｅｎｉnversiｏ瓦尔登反转n?２97. Enantｉｏｍoｒpｈ对映体?2９8．ａddｉｔion rea cｔion 加成反应?2９9. dｅｘｔro- 右旋302．steｒeo ｉsoｍｅr 301. sｔｅreocｈemiｓtｒy 立体化学?300. levo- 左旋?30３．Lucas rｅａgｅnｔ卢卡斯试剂?３04. ｃoｖalｅnｔbond 立体异构体?共价键?３05. ｃonjugated dｉene 共轭二烯烃306. cｏnｊｕgated doｕｂｌe bｏｎｄ共轭双键307. conjｕｇａｔed sysｔｅm 共轭体系308.ｃonjugａted effect 共轭效应?３09．isｏmer 同分异构体311. organiｃｃheｍｉｓtry 有机化学３10. isｏmeriｓｍ同分异构现象?31２.hｙbriｄｉzａｔｉｏn 杂化313. hyｂrid oｒbital 杂化轨道315. perｏxｉde effeｃｔ过氧化314．heterocycｌiｃcoｍpound 杂环化合物?物效应ｔ316. ｖalｅｎcｅｂond theory价键理论318．elｅctron-attracting grｏｕp 吸电子基317. sｅquence rule 次序规则?319.Ｈuckeｌrｕle 休克尔规则?３20．Ｈinsbｅrg ｔeｓt 兴斯堡试验３21．iｎfrareｄspｅctrum 红外光谱32２.Michaｅｌrｅacton 麦克尔反应?３23．halｏｇenａted hｙｄrocarbon 卤代烃３24．haloｆｏｒm reａｃtion 卤仿反应32６. Ｎewmaｎｐｒojeｃtｉ325. ｓystematｉc ｎomｅnｃlatur 系统命名法e?on 纽曼投影式327. ａromatiｃcoｍpｏund 芳香族化合物?328. aroｍａｔiｃchaｒactｅｒ芳香性r?3２9．Ｃlaisen ｃｏｎｄｅｎsatiｏn reactｉoｎ克莱森酯缩合反应330. Claisｅn rearrangement 克莱森重排3３1. Diels-Aldｅr ｒｅatioｎ狄尔斯-阿尔得反应33２. Cｌemmｅｎｓen reductiｏn 克莱门森还原３3３. Canniｚzaro rｅactioｎ坎尼扎罗反应334. ｐosｉtiｏnal ｉsoｍers 位置异构体336. 33５. uｎｉmolｅcular eliｍiｎation reaｃtiｏｎ单分子消除反应? unimolecｕlar nuｃｌeophilｉcｓｕbsｔｉｔution 单分子亲核取代反应?３37. benzeｎe 苯?３３８.ｆuｎｃtional ｇroｕ官能团p３３9. ｃonｆｉguraｔioｎ构型341．ｃoｎfomatiｏnａｌｉｓome构象异构体?３40. confｏrｍatioｎ构象?３4２．electrophilic adｄitioｎ亲电加成?３43. eleｃtrophｉｌicｒeagent 344. nuｃleｏｐhｉlｉcａdｄｉtion亲核加成?34５. nuｃleophiｌ亲电试剂?ic reａgent亲核试剂34６．ｎuｃleophiｌｉc suｂstitutｉon ｒｅaｃtiｏｎ亲核取代反应?３4７. ａｃtivｅｉｎtｅrｍｅdiatｅ活性中间体?３48．Saytｚeff rulｅ查依采夫规则3４9. cｉs-trans isｏmeｒｉsm 顺反异构350. indｕｃtiveｅffｅct诱导效应t3５１．Ｆehliｎg’s reaｇent 费林试剂?３5２.pｈａse tranｓfｅr caｔａlysis 相转移催化作用353.ａlipｈaｔic compｏund 脂肪族化合物?3５4. eliｍｉnatiｏn reacｔｉon 消除反应?３５5. Grignard reagent 格利雅试剂３5６. nｕclear magｎetｉc ｒｅsonａnce核磁共振?3５７．alkｅnｅ烯烃359. leａvｉng ｇｒoup离去基团?358. aｌlｙl caｔｉｏｎ烯丙基正离子?３６0．ｏptical actｉviｔy 旋光性?3６1. bｏaｔconfomａtion船型构象?３62. ｓｉlveｒmiｒror rｅaｃｔion银镜反应３63．Fischeｒproｊeｃｔｉon 菲舍尔投影式365. Ｆriｅdｅl-Crafｔs rｅacｔiｏ3６4. Kekｕlｅsｔｒucture 凯库勒结构式?n 傅列德尔-克拉夫茨反应366．Ketonｅ酮368. carbｏxylｉc ａcｉｄderivatｉve 羧酸3６7．carboxylｉc acｉｄ羧酸?衍生物369．hｙdrｏboratiｏn 硼氢化反应370. bond oength 键长37１. bｏnd energy 键能374．c 372．ｂoｎd ａｎｇle 键角?３73．ｃaｒboｈyｄratｅ碳水化合物?ａrbocatｉoｎ碳正离子375.cａrbaｎｉon 碳负离子３76. alcohoｌ醇3７7. Gofmann ｒule 霍夫曼规则?３78. Aｌdehyde 醛380.Polｙｍer 聚合物３79. Etｈer 醚?。

Gaussian 09 Help Table of Contents ∙Gaussian 09 Citation∙Preparing Input Fileso Job Typeso Model Chemistrieso Basis Setso Molecule Specificationso Multi-Step Jobs∙Using the G09W Programo Printable PDF version of G09W Reference∙Gaussian 09 Keywordso Keyword List∙Gaussian 09 Utilities∙Running Gaussian 09o Running on Linux/UNIX Systemso Running on Windows Systemso Network/Cluster Parallel Execution under: Linux/UNIX Windowso Efficient Use of Gaussiano Program Limits∙Information About Z-Matrices∙List of Gaussian 09 Links∙Changes from Gaussian 03∙ReferencesGaussian 09 Input OverviewGaussian 09 input consists of a series of lines in an ASCII text file. The basic structure of a Gaussian input file includes several different sections:∙Link 0 Commands: Locate and name scratch files (not blank line terminated).∙Route section (# lines): Specify desired calculation type, model chemistry and other options (blank line terminated).∙Title section: Brief description of the calculation (blank line terminated). This section is required in the input, but is not interpreted in any way by the Gaussian 09 program. It appears in the output for purposes of identification and description.Typically, this section might contain the compound name, its symmetry, the electronic state, and any other relevantinformation. The title section cannot exceed five lines and must be followed by a terminating blank line. The followingcharacters should be avoided in the title section: @ # ! - _ \ control characters (especially Ctrl-G) ∙Molecule specification: Specify molecular system to be studied (blank line terminated).∙Optional additional sections: Additional input needed for specific job types (usually blank line terminated).Many Gaussian 09 jobs will include only the second, third, and fourth sections. Here is an example of such a file, which requests a single point energy calculation on water:# HF/6-31G(d) Route sectionwater energy Title section0 1 Molecule specificationO -0.464 0.177 0.0H -0.464 1.137 0.0H 0.441 -0.143 0.0In this job, the route and title sections each consist of a single line. The molecule specification section begins with a line giving the charge and spin multiplicity for the molecule: 0 charge (neutral molecule) and spin multiplicity 1 (singlet) in this case. The charge and spin multiplicity line is followed by lines describing the location of each atom in the molecule; this example uses Cartesian coordinates to do so. Molecule specifications are discussed in more detail later in this chapter.The following input file illustrates the use of Link 0 commands and an additional input section:%Chk=heavy Link 0 section# HF/6-31G(d) Opt=ModRedundant Route sectionOpt job Title section0 1 Molecule Specification sectionatomic coordinates …3 8 Add a bond and an angle to the internal 2 1 3 coordinates used during the geom. opt.This job requests a geometry optimization. The input section following the molecule specification is used by the Opt=ModRedundant keyword, and it serves to add an additional bond and angle in the internal coordinates used in the geometry optimization. The job also specifies a name for the checkpoint file.For convenience, the following table all possible sections that might appear within a Gaussian 09 input file, along with the keywords associated with each one.Gaussian 09 Input Section OrderingInput SyntaxIn general, Gaussian input is subject to the following syntax rules:∙Input is free-format and case-insensitive.∙Spaces, tabs, commas, or forward slashes can be used in any combination to separate items within a line. Multiple spaces are treated as a single delimiter.∙Options to keywords may be specified in any of the following forms:o keyword = optiono keyword(option)o keyword=(option1, option2, …)o keyword(option1, option2, …)∙Multiple options are enclosed in parentheses and separated by any valid delimiter (commas are conventional and are shown above). The equals sign before the opening parenthesis may be omitted, or spaces may optionally beincluded before and/or after it. Note that some options also take values; in this case, the option name is followed by an equals sign: for example, CBSExtrap(NMin=6).∙All keywords and options may be shortened to their shortest unique abbreviation within the entire Gaussian 09 system. Thus, the Conventional option to the SCF keyword may be abbreviated to Conven, but not to Conv (due to the presence of the Convergence option). This holds true whether or not both Conventional andConvergence happen to be valid options for any given keyword.∙The contents of an external file may be included within a Gaussian 09 input file using the following syntax: @filename. This causes the entire file to be placed at the current location in the input stream. Appending /N tosuch commands will prevent the included file’s contents from being echoed at the start of the output file.∙Comments begin with an exclamation point (!), which may appear anywhere on a line. Separate comment lines may appear anywhere within the input file.Gaussian 09 Job TypesThe route section of a Gaussian 09 input file specifies the type of calculation to be performed. There are three key components to this specification:∙The job type∙The method∙The basis setThe following table lists the job types available in Gaussian 09:∙SP: Single point energy.∙Opt: Geometry optimization.∙Freq: Frequency and thermochemical analysis.∙IRC: Reaction path following.∙IRCMax: Find the maximum energy along a specific reaction path.∙Scan: Potential energy surface scan.∙Polar: Polarizabilities and hyperpolarizabilities.∙ADMP and BOMD: Direct dynamics trajectory calculation.∙Force: Compute forces on the nuclei.∙Stable: Test wavefunction stability.∙Volume: Compute molecular volume.∙Density=Checkpoint Guess=Only: Recompute population analysis only.∙Guess=Only: Print initial guess only; generate fragment-based initial guess.In general, only one job type keyword should be specified. The exceptions to this rule are:∙Polar and Opt may be combined with Freq. In the latter case, the geometry optimization is automatically followed by a frequency calculation at the optimized structure.∙Opt may be combined with the compound method keywords in order to specify options for the optimization portion of the calculation: e.g., Opt=(TS,ReadFC) CBS-QB3.When no job type keyword is specified within the route section, the default calculation type is usually a single point energy calculation (SP). However, a route section of the form: method2/basis2 // method1/basis1 may be used to request an optimization calculation (at method1/basis1) followed by a single point energy calculation (at method2/basis2) at the optimized geometry. For example, the following route section requests a B3LYP/6-31G(d) geometry optimization followed by a single point energy calculation using the CCSD/6-31G(d) model chemistry:# CCSD/6-31G(d)//B3LYP/6-31G(d) TestIn this case, the Opt keyword is optional and is the default. Note that Opt Freq calculations may not use this syntax.Predicting Molecular PropertiesThe following table provides a mapping between commonly-desired predicted quantities and the Gaussian 09 keywords that will produce them:∙Antiferromagnetic coupling: Guess=Fragment, Stability∙Atomic charges: Pop∙ΔG of solvation: SCRF=SMD∙Dipole moment: Pop∙Electron affinities: CBS-QB3, CCSD, EPT∙Electron density: cubegen∙Electronic circular dichroism: CIS, TD, EOM, SAC-CI∙Electrostatic potential: cubegen, Prop∙Electrostatic potential-derived charges: Pop=Chelp, ChelpG or MK∙Electronic transition band shape: Freq=FC, Freq=HT∙Polarizabilities/hyperpolarizabilities: Freq, Polar [CPHF=RdFreq], Polar=DCSHG∙High accuracy energies: CBS-QB3, G2, G3, G4, W1U, W1BD∙Hyperfine coupling constants (anisotropic): Prop∙Hyperfine spectra tensors (including g tensors): Freq=(VCD, VibRot [, Anharmonic])∙Ionization potentials: CBS-QB3, CCSD, EPT∙IR and Raman spectra: Freq[=Anharmonic]∙Pre-resonance Raman spectra: Freq CPHF=RdFreq∙Molecular orbitals: Pop=Regular∙Multipole moments: Pop∙NMR shielding and chemical shifts: NMR∙NMR spin-spin coupling constants: NMR=Mixed∙Optical rotations: Polar=OptRot∙Raman optical activity: Freq=ROA, CPHF=RdFreq∙Thermochemical analysis: Freq∙UV/Visible spectra: CIS, ZIndo, TD, EOM, SAC-CI∙Vibration-rotation coupling: Freq=VibRot∙Vibrational circular dichroism: Freq=VCDModel ChemistriesThe combination of method and basis set specifies a model chemistry to Gaussian, specifying the level of theory. Every Gaussian job must specify both a method and basis set. This is usually accomplished via two separate keywords within the route section of the input file, although a few method keywords imply a choice of basis set. Some jobs using a density functional method may also include a density fitting set (see the Basis Sets section for more information).The following table lists methods which are available in Gaussian, along with the job types for which each one may be used. An asterisk indicates analytic calculations, while numerical-only calculations are indicated by n (see the discussion of the specific keyword in question for details).List of Methods and Their Available Job TypesIf no method keyword is specified, HF is assumed. Most method keywords may be prefaced by R for closed-shell restricted wavefunctions, U for unrestricted open-shell wavefunctions, or RO for restricted open-shell wavefunctions: for example, ROHF, UMP2, or RQCISD. RO is available only for Hartree-Fock and Density Functional methods, and AM1, PM3, PM3MM, PM6 and PDDG energies and gradients, and MP2, MP3, MP4, and CCSD energies.In general, only a single method keyword should be specified, and including more than one of them will produce bizarre results. However, there are exceptions:∙CASSCF may be specified along with MP2 to request a CASSCF calculation including dynamic electron correlation.∙ONIOM and IRCMax jobs require multiple method specifications. However, they are given as options to the corresponding keyword.∙The form model2 // model1 described previously may be used to generate an automatic optimization followed by a single point calculation at the optimized geometry.Basis SetsMost methods require a basis set be specified; if no basis set keyword is included in the route section, then the STO-3G basis will be used. The exceptions consist of a few methods for which the basis set is defined as an integral part of the method; they are listed below:∙All semi-empirical methods, including ZIndo for excited states.∙All molecular mechanics methods.∙Compound model chemistries: all G n, CBS and W1 methods.The following basis sets are stored internally in the Gaussian 09 program (see references cited for full descriptions), listed below by their corresponding Gaussian 09 keyword (with two exceptions):∙STO-3G[Hehre69, Collins76]∙3-21G[Binkley80a, Gordon82, Pietro82, Dobbs86, Dobbs87, Dobbs87a]∙6-21G[Binkley80a, Gordon82]∙4-31G[Ditchfield71, Hehre72, Hariharan74, Gordon80]∙6-31G[Ditchfield71, Hehre72, Hariharan73, Hariharan74, Gordon80, Francl82, Binning90, Blaudeau97, Rassolov98, Rassolov01]∙6-31G†: Gaussian 09 also includes the 6-31G† and 6-31G‡ basis sets of George Petersson and coworkers, defined as part of the Complete Basis Set methods [Petersson88, Petersson91]. These are accessed via the 6-31G(d') and 6-31G(d',p')keywords, to which single or double diffuse functions may also be added; f functions may also be added: e.g., 6-31G(d'f), and so on.∙6-311G: Specifies the 6-311G basis for first-row atoms and the McLean-Chandler (12s,9p) → (621111,52111) basis sets for second-row atoms [McLean80, Raghavachari80b] (note that the basis sets for P, S, and Cl are those called negative ionbasis sets by McLean and Chandler; these were deemed to give better results for neutral molecules as well), the basis set ofBlaudeau and coworkers for Ca and K [Blaudeau97], the Wachters-Hay [Wachters70, Hay77] all electron basis set for the first transition row, using the scaling factors of Raghavachari and Trucks [Raghavachari89], and the 6-311G basis set ofMcGrath, Curtiss and coworkers for the other elements in the third row [Binning90, McGrath91, Curtiss95]. Note thatRaghavachari and Trucks recommend both scaling and including diffuse functions when using the Wachters-Hay basis set for first transition row elements; the 6-311+G form must be specified to include the diffuse functions. MC-311G is a synonymfor 6-311G.∙D95V: Dunning/Huzinaga valence double-zeta [Dunning76].∙D95: Dunning/Huzinaga full double zeta [Dunning76].∙SHC: D95V on first row, Goddard/Smedley ECP on second row [Dunning76, Rappe81]. Also known as SEC.∙CEP-4G: Stevens/Basch/Krauss ECP minimal basis [Stevens84, Stevens92, Cundari93].∙CEP-31G: Stevens/Basch/Krauss ECP split valance [Stevens84, Stevens92, Cundari93].∙CEP-121G: Stevens/Basch/Krauss ECP triple-split basis [Stevens84, Stevens92, Cundari93].Note that there is only one CEP basis set defined beyond the second row, andall three keywords are equivalent for these atoms.∙LanL2MB: STO-3G [Hehre69, Collins76] on first row, Los Alamos ECP plus MBS on Na-La, Hf-Bi [Hay85, Wadt85, Hay85a].∙LanL2DZ: D95V on first row [Dunning76], Los Alamos ECP plus DZ on Na-La, Hf-Bi [Hay85, Wadt85, Hay85a].∙SDD: D95 up to Ar [Dunning76] and Stuttgart/Dresden ECPs on the remainder of the periodic table [Fuentealba82, Szentpaly82, Fuentealba83, Stoll84, Fuentealba85, Wedig86, Dolg87, Igel-Mann88, Dolg89, Schwerdtfeger89,Dolg89a, Andrae90, Dolg91, Kaupp91, Kuechle91, Dolg92, Bergner93, Dolg93, Haeussermann93, Dolg93a,Kuechle94, Nicklass95, Leininger96, Cao01, Cao02]. The SDD, SHF, SDF, MHF, MDF, MWB forms may be used to specify these basis sets/potentials within Gen basis input. Note that the number of core electrons must be specified following the form (e.g., MDF28 for the MDF potential replacing 28 core electrons).∙SDDAll: Selects Stuttgart potentials for Z > 2.∙cc-pVDZ, cc-pVTZ, cc-pVQZ, cc-pV5Z, cc-pV6Z: Dunning’s correlation consistent basis sets [Dunning89, Kendall92, Woon93, Peterson94, Wilson96] (double, triple, quadruple, quintuple-zeta and sextuple-zeta, respectively). These basissets have had redundant functions removed and have been rotated [Davidson96] in order to increase computational efficiency.These basis sets include polarization functions by definition. The following table lists the valence polarization functions present for the various atoms included in these basis sets:Atom s cc-pVDZcc-pVTZ cc-pVQZ cc-pV5Z cc-pV6ZH 2s,1p 3s,2p,1d 4s,3p,2d,1f 5s,4p,3d,2f,1g 6s,5p,4d,3f,2g,1hHe 2s,1p 3s,2p,1d 4s,3p,2d,1f 5s,4p,3d,2f,1g notavailableLi-Be 3s,2p,1d 4s,3p,2d,1f 5s,4p,3d,2f,1g 6s,5p,4d,3f,2g,1hnotavailableB-Ne 3s,2p,1d 4s,3p,2d,1f 5s,4p,3d,2f,1g 6s,5p,4d,3f,2g,1h7s,6p,5d,4f,3g,2h,1iNa-Ar 4s,3p,1d 5s,4p,2d,1f 6s,5p,3d,2f,1g 7s,6p,4d,3f,2g,1hnotavailableCa 5s,4p,2d 6s,5p,3d,1f 7s,6p,4d,2f,1g 8s,7p,5d,3f,2g,1hnotavailableSc-Zn 6s,5p,3d, 1f 7s,6p,4d,2f,1g8s,7p,5d,3f,2g,1h9s,8p,6d,4f,3g,2h,1inotavailableGa-Kr 5s,4p,2d 6s,5p,3d,1f 7s,6p,4d,2f,1g 8s,7p,5d,3f,2g,1hnotavailableThese basis sets may be augmented with diffuse functions by adding the AUG- prefix to the basis set keyword (rather than using the + and ++ notation—see below).∙SV, SVP, TZV, TZVP[Schaefer92, Schaefer94], QZVP[Weigend05] of Ahlrichs and coworkers.∙MIDI! of Truhlar and coworkers [Easton96]. The MidiX keyword is used to request this basis set.∙EPR-II and EPR-III: The basis sets of Barone [Barone96a] which are optimized for the computation of hyperfine coupling constants by DFT methods (particularly B3LYP). EPR-II is a double zeta basis set with a single set of polarization functions and an enhanced s part: (6,1)/[4,1] for H and (10,5,1)/[6,2,1] for B to F. EPR-III is a triple-zeta basis set including diffuse functions, double d-polarizations and a single set of f-polarization functions. Also in this case the s-part is improved to better describe the nuclear region: (6,2)/[4,2] for H and (11,7,2,1)/[7,4,2,1] for B to F.∙UGBS: The universal Gaussian basis set of de Castro, Jorge and coworkers [Silver78, Silver78a, Mohallem86, Mohallem87, daCosta87, daSilva89, Jorge97, Jorge97a, deCastro98]. Additional polarization functions may be added by including a suffix to this keyword:∙UGBS n P|V|Owhere n is an integer indicating whether to add 1, 2 or 3 polarization functions for each function in the normal UGBS basis set. The second item is a code letter indicating which function should be augmented polarization functions: P adds them to all functions, V adds them to all valence functions, and O requests the scheme used in Gaussian 03 (see below). For example, theUGBS1P keyword requests this basis set with one additional polarization function to all orbitals, and UGBS2V adds twoadditional polarization function to all valence orbitals.The O suffix adds the same functions as the UGBS n P keywords in Gaussian 03. UGBS1O adds a p function for each s, a d function for each p, and so on; UGBS2O adds a p and d function for each s, a d and f function for each p, and UGBS3O addsa p, d and f for each s, etc.Diffuse functions may be added as usual with + or ++; the first of these may be specified as 2+ to add two diffuse functionsfor heavy atoms.∙MTSmall of Martin and de Oliveira, defined as part of their W1 method (see the W1U keyword) [Martin99].∙The DGDZVP, DGDZVP2 and DGTZVP basis sets used in DGauss[Godbout92, Sosa92].∙CBSB7: Selects the 6-311G(2d,d,p) basis set used by CBS-QB3 high accuracy energy method [Montgomery99]. The notation specifies two additional d polarization functions on second rows atoms, one d function on first row atoms and a pfunction on hydrogens (note that this three-field polarization function syntax is not supported by Gaussian 09). Adding Polarization and Diffuse FunctionsSingle first polarization functions can also be requested using the usual * or ** notation. Note that (d,p) and ** aresynonymous—6-31G** is equivalent to 6-31G(d,p), for example—and that the 3-21G* basis set has polarization functions on second row atoms only. The + and ++ diffuse functions [Clark83] are available with some basis sets, as are multiple polarization functions [Frisch84]. The keyword syntax is best illustrated by example: 6-31+G(3df,2p) designates the 6-31G basis set supplemented by diffuse functions, 3 sets of d functions and one set of f functions on heavy atoms, and supplemented by 2 sets of p functions on hydrogens.When the AUG- prefix is used to add diffuse functions to the cc-pV x Z basis sets, one diffuse function of each function type in use for a given atom is added [Kendall92, Woon93]. For example, the AUG-cc-pVTZ basis places one s, one d, and one p diffuse functions on hydrogen atoms, and one d, one p, one d, and one f diffuse functions on B through Ne and Al through Ar.Adding a single polarization function to 6-311G (i.e. 6-311G(d)) will result in one d function for first and second row atoms and one f function for first transition row atoms, since d functions are already present for the valence electrons in the latter. Similarly, adding a diffuse function to the 6-311G basis set will produce one s, one p, and one d diffuse functions for third-row atoms.When a frozen core calculation is done using the D95 basis, both the occupied core orbitals and the corresponding virtual orbitals are frozen. Thus while a D95** calculation on water has 26 basis functions, and a 6-31G** calculation on the same system has 25 functions, there will be 24 orbitals used in a frozen core post-SCF calculation involving either basis set.The following table lists polarization and diffuse function availability and the range of applicability for each built-in basis set in Gaussian 09:Basis Set Applies to PolarizationDiffuse FunctionsFunctions3-21G H-Xe +6-21G H-Cl * or **4-31G H-Ne * or **6-31G H-Kr through (3df,3pd) +,++ 6-311G H-Kr through (3df,3pd) +,++ D95H-Cl except Naand Mgthrough (3df,3pd) +,++ D95V H-Ne (d) or (d,p) +,++ SHC H-Cl *CEP-4G H-Rn *(Li-Ar only)CEP-31G H-Rn *(Li-Ar only)CEP-121G H-Rn *(Li-Ar only)LanL2MB H-La, Hf-BiLanL2DZ H, Li-La, Hf-BiSDD, SDDAll all but Fr andRacc-pVDZ H-Ar, Ca-Kr included indefinition added via AUG-prefix(H-Ar, Sc-Kr)cc-pVTZ H-Ar, Ca-Kr included indefinition added via AUG-prefix(H-Ar, Sc-Kr)cc-pVQZ H-Ar, Ca-Kr included indefinition added via AUG-prefix(H-Ar,Sc-Kr)cc-pV5Z H-Ar, Ca-Kr included indefinition added via AUG-prefix (H-Na, Al-Ar Sc-Kr)cc-pV6Z H, B-Ne included indefinition added via AUG-prefix (H,B-O)SV H-KrSVP H-Kr included indefinition TZV and TZVP H-Kr included indefinition QZVP H-Rn included indefinition MidiX H, C-F, S-Cl, I, Br included indefinitionEPR-II, EPR-III H, B, C, N, O, F included indefinitionUGBS H-Lr UGBS(1,2,3)P+,++,2+,2++ MTSmall H-ArDGDZVP H-XeDGDZVP2H-F, Al-Ar, Sc-ZnDGTZVP H, C-F, Al-ArCBSB7H-Kr included in+,++definitionSTO-3G and 3-21G accept a * suffix, but this does not actually add any polarization functions.Additional Basis Set-Related KeywordsThe following additional keywords are useful in conjunction with these basis set keywords:∙5D and 6D: Use 5 or 6 d functions (pure vs. Cartesian d functions), respectively.∙7F and 10F: Use 7 or 10 f functions (pure vs. Cartesian f functions), respectively. These keywords also apply to all higher functions (g and beyond).Other basis sets may also be input to the program using the ExtraBasis and Gen keywords. The ChkBasis keyword indicates that the basis set is to read from the checkpoint file (defined via the %Chk command). See the individual descriptions of these keywords later in this chapter for details.Issues Arising from Pure vs. Cartesian Basis Functions Gaussian users should be aware of the following points concerning pure vs. Cartesian basis functions:∙All of the built-in basis sets use pure f functions. Most also use pure d functions; the exceptions are 3-21G, 6-21G, 4-31G, 6-31G, 6-31G†, 6-31G‡, CEP-31G, D95 and D95V. The preceding keywords may be used to override the defaultpure/Cartesian setting. Note that basis functions are generally converted to the other type automatically when necessary, forexample, when a wavefunction is read from the checkpoint file for use in a calculation using a basis consisting of the othertype [Schlegel95a].∙Within a job, all d functions must be 5D or 6D, and all f and higher functions must be pure or Cartesian.∙When using the ExtraBasis, Gen and GenECP keywords, the basis set explicitly specified in the route section always determines the default form of the basis functions (for Gen, these are 5D and 7F). For example, if you use a general basis set taking some functions from the 3-21G and 6-31G basis sets, pure functions will be used unless you explicitly specify 6D inthe route section in addition to Gen. Similarly, if you add basis functions for a transition metal from the 6-311G(d) basis setvia ExtraBasis to a job that specifies the 6-31G(d) basis set in the route section, Cartesian d functions will be used. Likewise, if you want to add basis functions for Xe from the 3-21G basis set to the 6-311 basis set via the ExtraBasis keyword, the Xe basis functions will be pure functions.Density Fitting Basis SetsGaussian 09 provides the density fitting approximation for pure DFT calculations [Dunlap83, Dunlap00]. This approach expands the density in a set of atom-centered functions when computing the Coulomb interaction instead of computing all of the two-electron integrals. It provides significant performance gains for pure DFT calculations on medium sized systems too small to take advantage of the linear scaling algorithms without a significant degradation in the accuracy of predicted structures, relative energies and molecularproperties. Gaussian 09 can generate an appropriate fitting basis automatically from the AO basis, or you may select one of the built-in fitting sets.The desired fitting basis set is specified as a third component of the model chemistry, as in this example:# BLYP/TZVP/TZVPFitNote that slashes must be used as separator characters between the method, basis set, and fitting set when a density fitting basis set is specified.The following fitting sets keywords are available in Gaussian 09:∙DGA1 and DGA2[Godbout92, Sosa92]. DGA1 is available for H through Xe, and DGA2 is available for H, He andB through Ne.∙SVPFit[Eichkorn95, Eichkorn97] and Def2SV[Weigend05], corresponding to the SVP basis set.∙TZVPFit[Eichkorn95, Eichkorn97] and DefTZV[Weigend05], corresponding to the TZVP basis set.∙QZVP[Weigend03, Weigend05], corresponding to the QZVP basis set.∙The W06 fitting set of Ahlrichs and coworkers [Weigend05, Weigend06].∙Fit: Select the fitting set corresponding to the specified basis set. If there is no such fitting set, an error results.∙NoFit: Turn off fitting set use for this calculation. This keyword is used to override the DensityFit keyword with a Default.Route file.∙Auto: Generate a fitting set automatically (see below).Density fitting sets can be generated automatically from the AO primitives within the basis set. This is requested using the Auto fitting set keyword. The program automatically truncates the set at a reasonable angular momentum: the default isMax(MaxTyp+1,2*MaxVal), where MaxTyp is the highest angular momentum in the AO basis, and MaxVal is the highest valence angular momentum. You can request that all generated functions be used with Auto=All, or request those up to a certain level with Auto=N, where N is the maximum angular momentum retained in the fitting functions. Finally, the PAuto form generates all products of AO functions on one center instead of just squares of the AO primitives, but this is typically more functions than are needed.By default, no fitting set is used. Density fitting basis sets may be augmented with the ExtraDensityBasis keyword, defined in full with the Gen keyword, and optionally retrieved from the checkpoint file (use ChkBasis to do so). The options to the DensityFit keyword can be used to control some aspects of the fitting set used within calculations.Overview of Molecule SpecificationsThis input section specifies the nuclear positions and the number of electrons of α- and β-spin. There are several ways in which the nuclear configuration can be specified: as a Z-matrix, as Cartesian coordinates, or as a mixture of the two (note that Cartesian coordinates are just a special case of the Z-matrix).The first line of the molecule specification section specifies the net electric charge (a signed integer) and the spin multiplicity (usually a positive integer). Thus, for a neutral molecule in a singlet state, the entry 0 1 is appropriate. For a radical anion, -1 2 would be used. Multiple charge/spin pairs may/must be included for some calculation types.The charge and spin line is the only molecule specification input required if Geom=CheckPoint is used. The entire molecule specification (and title section) may be omitted by including Geom=AllCheck in the route section.The remainder of the molecule specification gives the element type and nuclear position for each atom in the molecular system. The most general format for the line within it is the following:Element-label[–Atom-type[–Charge]][(param=value[, …])]Atom-position-parametersEach line contains the element type, and possibly an optional molecular mechanics atom type and partial charge. Nuclear parameters for this atom are specified in the parenthesized list. The remainder of the line contains information about the atom’s location, either as Cartesian coordinates or as a Z-matrix definition. We’ll begin by considering the initial and final items, and then go on to discuss the remaining items.Here is the basic format for specifying atoms within the molecule specification (omitting all of the optional items):Element-label [freeze-code] x y zAlthough these examples use spaces to separate items within a line, any valid separator may be used. The position of the atom is specified in Cartesian coordinates. freeze-code is an optional parameter related to freezing atoms during optimizations using ONIOM (see ONIOM for details).Element-label is a character string consisting of either the chemical symbol for the atom or its atomic number. If the elemental symbol is used, it may be optionally followed by other alphanumeric characters to create an identifying label for that atom. A common practice is to follow the element name with a secondary identifying integer: C1, C2, C3, and so on; this technique is useful in following conventional chemical numbering. The maximum length of the element label is 4 characters.In the first form, the remaining items on each line are Cartesian coordinates specifying the position of that nucleus. In the second form, atom1, atom2, atom3 are the labels for previously-specified atoms which will be used to define the current atoms’ position (alternatively, the other atoms’ line numbers within the molecule specification section may be used for the values of variables, where the charge and spin multiplicity line is line 0).The position of the current atom is then specified by giving the length of the bond joining it to atom1, the angle formed by this bond and the bond joining atom1 and atom2, and the dihedral (torsion) angle formed by the bond joining atom2 and atom3 with the plane containing the current atom, atom1 and atom2.Here is a simple molecule specification section for ethane which uses element labels for the carbon atoms and element types for the hydrogen atoms:0,1C1 0.00 0.00 0.00C2 0.00 0.00 1.52H 1.02 0.00 -0.39H -0.51 -0.88 -0.39H -0.51 0.88 -0.39。

专业英语词汇-----分析化学第一章绪论分析化学：analytical chemistry定性分析：qualitative analysis定量分析：quantitative analysis物理分析：physical analysis物理化学分析：physico-chemical analysis仪器分析法：instrumental analysis流动注射分析法：flow injection analysis；FIA顺序注射分析法：sequentical injection analysis;SIA化学计量学：chemometrics第二章误差的分析数据处理绝对误差：absolute error相对误差：relative error系统误差：systematic error可定误差：determinate error随机误差：accidental error不可定误差：indeterminate error准确度：accuracy精确度：precision偏差：debiation，d平均偏差：average debiation相对平均偏差：relative average debiation标准偏差（标准差）：standerd deviation;S相对平均偏差：relatibe standard deviation;RSD变异系数：coefficient of variation误差传递：propagation of error有效数字：significant figure置信水平：confidence level显著性水平：level of significance合并标准偏差（组合标准差）：pooled standard debiation 舍弃商：rejection quotient ;Q化学定量分析第三章滴定分析概论滴定分析法：titrametric analysis滴定：titration容量分析法:volumetric analysis化学计量点：stoichiometric point等当点：equivalent point电荷平衡：charge balance电荷平衡式：charge balance equation质量平衡：mass balance物料平衡：material balance质量平衡式：mass balance equation第四章酸碱滴定法酸碱滴定法：acid-base titrations 质子自递反应：auto protolysis reaction质子自递常数：autoprotolysis constant质子条件式:proton balance equation酸碱指示剂：acid-base indicator指示剂常数：indicator constant变色范围：colour change interval混合指示剂：mixed indicator双指示剂滴定法：double indicator titration第五章非水滴定法非水滴定法：nonaqueous titrations质子溶剂：protonic solvent酸性溶剂：acid solvent碱性溶剂：basic solvent两性溶剂:amphototeric solvent无质子溶剂：aprotic solvent均化效应：differentiatin g effect区分性溶剂：differentiating solvent离子化：ionization离解：dissociation结晶紫：crystal violet萘酚苯甲醇: α-naphthalphenol benzyl alcohol奎哪啶红：quinadinered百里酚蓝：thymol blue偶氮紫：azo violet溴酚蓝：bromophenol blue第六章配位滴定法配位滴定法：compleximetry乙二胺四乙酸：ethylenediamine tetraacetic acid,EDTA 螯合物：chelate compound金属指示剂：metal lochrome indcator第七章氧化还原滴定法氧化还原滴定法：oxidation-reduction titration碘量法：iodimetry溴量法：bromimetry ]溴量法：bromine method铈量法：cerimetry高锰酸钾法：potassium permanganate method条件电位：conditional potential溴酸钾法：potassium bromate method硫酸铈法：cerium sulphate method偏高碘酸：metaperiodic acid高碘酸盐：periodate亚硝酸钠法：sodium nitrite method重氮化反应：diazotization reaction重氮化滴定法：diazotization titration亚硝基化反应：nitrozation reaction亚硝基化滴定法：nitrozation titration外指示剂：external indicator外指示剂：outside indicator重铬酸钾法：potassium dichromate method 第八章沉淀滴定法沉淀滴定法：precipitation titration容量滴定法：volumetric precipitation method 银量法：argentometric method第九章重量分析法重量分析法：gravimetric analysis挥发法：volatilization method引湿水（湿存水）：water of hydroscopicity 包埋(藏)水：occluded water吸入水：water of imbibition结晶水：water of crystallization组成水：water of composition液-液萃取法：liquid-liquid extration溶剂萃取法：solvent extration反萃取：counter extraction分配系数：partition coefficient分配比：distribution ratio离子对（离子缔合物）：ion pair沉淀形式：precipitation forms称量形式：weighing forms仪器分析概述物理分析：physical analysis物理化学分析：physicochemical analysis仪器分析：instrumental analysis第十章电位法及永停滴定法电化学分析：electrochemical analysis电解法：electrolytic analysis method电重量法：electrogravimetry库仑法：coulo metry库仑滴定法：coulo metric titration电导法：conductometry电导分析法：conductometric analysis电导滴定法：conductometric titration电位法：potentiometry直接电位法：dirext potentiometry电位滴定法：potentiometric titration伏安法：voltammetry极谱法：polarography溶出法：stripping method电流滴定法：amperometric titration化学双电层：chemical double layer相界电位：phase boundary potential 金属电极电位：electrode potential化学电池：chemical cell液接界面：liquid junction boundary原电池：galvanic cell电解池：electrolytic cell负极：cathode正极：anode电池电动势：eletromotive force指示电极：indicator electrode参比电极：reference electroade标准氢电极：standard hydrogen electrode一级参比电极：primary reference electrode饱和甘汞电极：saturated calomel electrode银－氯化银电极：silver silver-chloride electrode液接界面：liquid junction boundary不对称电位：asymmetry potential表观PH值：apparent PH复合PH电极：combination PH electrode离子选择电极：ion selective electrode敏感器：sensor晶体电极:crystalline electrodes均相膜电极：homogeneous membrance electrodes非均相膜电极：heterogeneous membrance electrodes非晶体电极：non- crystalline electrodes刚性基质电极：rigid matrix electrode流流体载动电极：electrode with a mobile carrier气敏电极：gas sensing electrodes酶电极：enzyme electrodes金属氧化物半导体场效应晶体管：MOSFET离子选择场效应管：ISFET总离子强度调节缓冲剂：total ion strength adjustment buffer,TISAB永停滴定法：dead-stop titration双电流滴定法（双安培滴定法）：double amperometric titration 第十一章光谱分析法概论普朗克常数：Plank constant电磁波谱：electromagnetic spectrum光谱：spectrum光谱分析法：spectroscopic analysis原子发射光谱法：atomic emission spectroscopy质量谱：mass spectrum质谱法：mass spectroscopy,MS第十二章紫外－可见分光光度法紫外－可见分光光度法：ultraviolet and visible spectrophotometry;UV-vis肩峰：shoulder peak末端吸收：end absorbtion生色团：chromophore助色团：auxochrome红移：red shift长移：bathochromic shift短移：hypsochromic shift蓝（紫）移：blue shift增色效应（浓色效应）：hyperchromic effect减色效应（淡色效应）：hypochromic effect强带：strong band弱带：weak band吸收带：absorption band透光率：transmitance,T吸光度：absorbance谱带宽度：band width杂散光：stray light噪声：noise暗噪声：dark noise散粒噪声：signal shot noise闪耀光栅：blazed grating全息光栅：holographic grating光二极管阵列检测器：photodiode array detector 偏最小二乘法：partial least squares method ,PLS褶合光谱法：convolution spectrometry褶合变换：convolution transform,CT离散小波变换：wavelet transform,WT多尺度细化分析：multiscale analysis供电子取代基：electron donating group吸电子取代基：electron with-drawing group第十三章荧光分析法荧光：fluorescence荧光分析法：fluorometryX-射线荧光分析法：X-ray fluorometry原子荧光分析法：atomic fluorometry分子荧光分析法：molecular fluorometry振动弛豫：vibrational relaxation内转换：internal conversion外转换：external conversion体系间跨越：intersystem crossing激发光谱：excitation spectrum荧光光谱：fluorescence spectrum斯托克斯位移：Stokes shift荧光寿命：fluorescence life time荧光效率：fluorescence efficiency荧光量子产率：fluorescence quantum yield荧光熄灭法：fluorescence quenching method散射光：scattering light瑞利光：R a yleith scattering light拉曼光：Raman scattering lightAbbe refractometer 阿贝折射仪absorbance 吸收度absorbance ratio 吸收度比值absorption 吸收absorption curve 吸收曲线absorption spectrum 吸收光谱absorptivity 吸收系数accuracy 准确度acid-dye colorimetry 酸性染料比色法acidimetry 酸量法acid-insoluble ash 酸不溶性灰分acidity 酸度activity 活度第十四章色谱法additive 添加剂additivity 加和性adjusted retention time 调整保留时间adsorbent 吸附剂adsorption 吸附affinity chromatography 亲和色谱法aliquot （一）份alkalinity 碱度alumina 氧化铝ambient temperature 室温ammonium thiocyanate 硫氰酸铵analytical quality control（AQC）分析质量控制anhydrous substance 干燥品anionic surfactant titration 阴离子表面活性剂滴定法antibiotics-microbial test 抗生素微生物检定法antioxidant 抗氧剂appendix 附录application of sample 点样area normalization method 面积归一化法argentimetry 银量法arsenic 砷arsenic stain 砷斑ascending development 上行展开ash-free filter paper 无灰滤纸（定量滤纸）assay 含量测定assay tolerance 含量限度atmospheric pressure ionization(API) 大气压离子化attenuation 衰减back extraction 反萃取back titration 回滴法bacterial endotoxins test 细菌内毒素检查法band absorption 谱带吸收baseline correction 基线校正baseline drift 基线漂移batch, lot 批batch(lot) number 批号Benttendorff method 白田道夫（检砷）法between day (day to day, inter-day) precision 日间精密度between run (inter-run) precision 批间精密度biotransformation 生物转化bioavailability test 生物利用度试验bioequivalence test 生物等效试验biopharmaceutical analysis 体内药物分析，生物药物分析blank test 空白试验boiling range 沸程British Pharmacopeia (BP) 英国药典bromate titration 溴酸盐滴定法bromimetry 溴量法bromocresol green 溴甲酚绿bromocresol purple 溴甲酚紫bromophenol blue 溴酚蓝bromothymol blue 溴麝香草酚蓝bulk drug, pharmaceutical product 原料药buret 滴定管by-product 副产物calibration curve 校正曲线calomel electrode 甘汞电极calorimetry 量热分析capacity factor 容量因子capillary zone electrophoresis (CZE) 毛细管区带电泳capillary gas chromatography 毛细管气相色谱法carrier gas 载气cation-exchange resin 阳离子交换树脂ceri(o)metry 铈量法characteristics, description 性状check valve 单向阀chemical shift 化学位移chelate compound 鳌合物chemically bonded phase 化学键合相chemical equivalent 化学当量Chinese Pharmacopeia (ChP) 中国药典Chinese material medicine 中成药Chinese materia medica 中药学Chinese materia medica preparation 中药制剂Chinese Pharmaceutical Association (CPA) 中国药学会chiral 手性的chiral stationary phase (CSP) 手性固定相chiral separation 手性分离chirality 手性chiral carbon atom 手性碳原子chromatogram 色谱图chromatography 色谱法chromatographic column 色谱柱chromatographic condition 色谱条件chromatographic data processor 色谱数据处理机chromatographic work station 色谱工作站clarity 澄清度clathrate, inclusion compound 包合物clearance 清除率clinical pharmacy 临床药学coefficient of distribution 分配系数coefficient of variation 变异系数color change interval （指示剂）变色范围color reaction 显色反应colorimetric analysis 比色分析colorimetry 比色法column capacity 柱容量column dead volume 柱死体积column efficiency 柱效column interstitial volume 柱隙体积column outlet pressure 柱出口压column temperature 柱温column pressure 柱压column volume 柱体积column overload 柱超载column switching 柱切换committee of drug evaluation 药品审评委员会comparative test 比较试验completeness of solution 溶液的澄清度compound medicines 复方药computer-aided pharmaceutical analysis 计算机辅助药物分析concentration-time curve 浓度－时间曲线confidence interval 置信区间confidence level 置信水平confidence limit 置信限congealing point 凝点congo red 刚果红（指示剂）content uniformity 装量差异controlled trial 对照试验correlation coefficient 相关系数contrast test 对照试验counter ion 反离子（平衡离子）cresol red 甲酚红（指示剂）crucible 坩埚crude drug 生药crystal violet 结晶紫（指示剂）cuvette, cell 比色池cyanide 氰化物cyclodextrin 环糊精cylinder, graduate cylinder, measuring cylinder 量筒cylinder-plate assay 管碟测定法daughter ion （质谱）子离子dead space 死体积dead-stop titration 永停滴定法dead time 死时间decolorization 脱色decomposition point 分解点deflection 偏差deflection point 拐点degassing 脱气deionized water 去离子水deliquescence 潮解depressor substances test 降压物质检查法derivative spectrophotometry 导数分光光度法derivatization 衍生化descending development 下行展开desiccant 干燥剂detection 检查detector 检测器developer, developing reagent 展开剂developing chamber 展开室deviation 偏差dextrose 右旋糖，葡萄糖diastereoisomer 非对映异构体diazotization 重氮化2,6-dichlorindophenol titration 2,6-二氯靛酚滴定法differential scanning calorimetry (DSC) 差示扫描热量法differential spectrophotometry 差示分光光度法differential thermal analysis (DTA) 差示热分析differentiating solvent 区分性溶剂diffusion 扩散digestion 消化diphastic titration 双相滴定disintegration test 崩解试验dispersion 分散度dissolubility 溶解度dissolution test 溶出度检查distilling range 馏程distribution chromatography 分配色谱distribution coefficient 分配系数dose 剂量drug control institutions 药检机构drug quality control 药品质量控制drug release 药物释放度drug standard 药品标准drying to constant weight 干燥至恒重dual wavelength spectrophotometry 双波长分光光度法duplicate test 重复试验effective constituent 有效成分effective plate number 有效板数efficiency of column 柱效electron capture detector 电子捕获检测器electron impact ionization 电子轰击离子化electrophoresis 电泳electrospray interface 电喷雾接口electromigration injection 电迁移进样elimination 消除eluate 洗脱液elution 洗脱emission spectrochemical analysis 发射光谱分析enantiomer 对映体end absorption 末端吸收end point correction 终点校正endogenous substances 内源性物质enzyme immunoassay(EIA) 酶免疫分析enzyme drug 酶类药物enzyme induction 酶诱导enzyme inhibition 酶抑制eosin sodium 曙红钠（指示剂）epimer 差向异构体equilibrium constant 平衡常数equivalence point 等当点error in volumetric analysis 容量分析误差excitation spectrum 激发光谱exclusion chromatography 排阻色谱法expiration date 失效期external standard method 外标法extract 提取物extraction gravimetry 提取重量法extraction titration 提取容量法extrapolated method 外插法，外推法factor 系数，因数，因子feature 特征Fehling’s reaction 费林反应field disorption ionization 场解吸离子化field ionization 场致离子化filter 过滤，滤光片filtration 过滤fineness of the particles 颗粒细度flame ionization detector(FID) 火焰离子化检测器flame emission spectrum 火焰发射光谱flask 烧瓶flow cell 流通池flow injection analysis 流动注射分析flow rate 流速fluorescamine 荧胺fluorescence immunoassay(FIA) 荧光免疫分析fluorescence polarization immunoassay(FPIA) 荧光偏振免疫分析fluorescent agent 荧光剂fluorescence spectrophotometry 荧光分光光度法fluorescence detection 荧光检测器fluorimetyr 荧光分析法foreign odor 异臭foreign pigment 有色杂质formulary 处方集fraction 馏分freezing test 结冻试验funnel 漏斗fused peaks, overlapped peaks 重叠峰fused silica 熔融石英gas chromatography(GC) 气相色谱法gas-liquid chromatography(GLC) 气液色谱法gas purifier 气体净化器gel filtration chromatography 凝胶过滤色谱法gel permeation chromatography 凝胶渗透色谱法general identification test 一般鉴别试验general notices （药典）凡例general requirements （药典）通则good clinical practices(GCP) 药品临床管理规范good laboratory practices(GLP) 药品实验室管理规范good manufacturing practices(GMP) 药品生产质量管理规范good supply practices(GSP) 药品供应管理规范gradient elution 梯度洗脱grating 光栅gravimetric method 重量法Gutzeit test 古蔡（检砷）法half peak width 半峰宽[halide] disk method, wafer method, pellet method 压片法head-space concentrating injector 顶空浓缩进样器heavy metal 重金属heat conductivity 热导率height equivalent to a theoretical plate 理论塔板高度height of an effective plate 有效塔板高度high-performance liquid chromatography (HPLC) 高效液相色谱法high-performance thin-layer chromatography (HPTLC) 高效薄层色谱法hydrate 水合物hydrolysis 水解hydrophilicity 亲水性hydrophobicity 疏水性hydroscopic 吸湿的hydroxyl value 羟值hyperchromic effect 浓色效应hypochromic effect 淡色效应identification 鉴别ignition to constant weight 灼烧至恒重immobile phase 固定相immunoassay 免疫测定impurity 杂质inactivation 失活index 索引indicator 指示剂indicator electrode 指示电极inhibitor 抑制剂injecting septum 进样隔膜胶垫injection valve 进样阀instrumental analysis 仪器分析insulin assay 胰岛素生物检定法integrator 积分仪intercept 截距interface 接口interference filter 干涉滤光片intermediate 中间体internal standard substance 内标物质international unit(IU) 国际单位in vitro 体外in vivo 体内iodide 碘化物iodoform reaction 碘仿反应iodometry 碘量法ion-exchange cellulose 离子交换纤维素ion pair chromatography 离子对色谱ion suppression 离子抑制ionic strength 离子强度ion-pairing agent 离子对试剂ionization 电离，离子化ionization region 离子化区irreversible indicator 不可逆指示剂irreversible potential 不可逆电位isoabsorptive point 等吸收点isocratic elution 等溶剂组成洗脱isoelectric point 等电点isoosmotic solution 等渗溶液isotherm 等温线Karl Fischer titration 卡尔·费歇尔滴定kinematic viscosity 运动黏度Kjeldahl method for nitrogen 凯氏定氮法Kober reagent 科伯试剂Kovats retention index 科瓦茨保留指数labelled amount 标示量leading peak 前延峰least square method 最小二乘法leveling effect 均化效应licensed pharmacist 执业药师limit control 限量控制limit of detection(LOD) 检测限limit of quantitation(LOQ) 定量限limit test （杂质）限度（或限量）试验limutus amebocyte lysate(LAL) 鲎试验linearity and range 线性及范围linearity scanning 线性扫描liquid chromatograph/mass spectrometer (LC/MS) 液质联用仪litmus paper 石蕊试纸loss on drying 干燥失重low pressure gradient pump 低压梯度泵luminescence 发光lyophilization 冷冻干燥main constituent 主成分make-up gas 尾吹气maltol reaction 麦牙酚试验Marquis test 马奎斯试验mass analyzer detector 质量分析检测器mass spectrometric analysis 质谱分析mass spectrum 质谱图mean deviation 平均偏差measuring flask, volumetric flask 量瓶measuring pipet(te) 刻度吸量管medicinal herb 草药melting point 熔点melting range 熔距metabolite 代谢物metastable ion 亚稳离子methyl orange 甲基橙methyl red 甲基红micellar chromatography 胶束色谱法micellar electrokinetic capillary chromatography(MECC, MEKC) 胶束电动毛细管色谱法micelle 胶束microanalysis 微量分析microcrystal 微晶microdialysis 微透析micropacked column 微型填充柱microsome 微粒体microsyringe 微量注射器migration time 迁移时间millipore filtration 微孔过滤minimum fill 最低装量mobile phase 流动相modifier 改性剂，调节剂molecular formula 分子式monitor 检测，监测monochromator 单色器monographs 正文mortar 研钵moving belt interface 传送带接口multidimensional detection 多维检测multiple linear regression 多元线性回归multivariate calibration 多元校正natural product 天然产物Nessler glasses(tube) 奈斯勒比色管Nessler’s r eagent 碱性碘化汞钾试液neutralization 中和nitrogen content 总氮量nonaqueous acid-base titration 非水酸碱滴定nonprescription drug, over the counter drugs (OTC drugs) 非处方药nonproprietary name, generic name 非专有名nonspecific impurity 一般杂质non-volatile matter 不挥发物normal phase 正相normalization 归一化法notice 凡例nujol mull method 石蜡糊法octadecylsilane chemically bonded silica 十八烷基硅烷键合硅胶octylsilane 辛（烷）基硅烷odorless 无臭official name 法定名official specifications 法定标准official test 法定试验on-column detector 柱上检测器on-column injection 柱头进样on-line degasser 在线脱气设备on the dried basis 按干燥品计opalescence 乳浊open tubular column 开管色谱柱optical activity 光学活性optical isomerism 旋光异构optical purity 光学纯度optimization function 优化函数organic volatile impurities 有机挥发性杂质orthogonal function spectrophotometry 正交函数分光光度法orthogonal test 正交试验orthophenanthroline 邻二氮菲outlier 可疑数据，逸出值overtones 倍频峰，泛频峰oxidation-reduction titration 氧化还原滴定oxygen flask combustion 氧瓶燃烧packed column 填充柱packing material 色谱柱填料palladium ion colorimetry 钯离子比色法parallel analysis 平行分析parent ion 母离子particulate matter 不溶性微粒partition coefficient 分配系数parts per million (ppm) 百万分之几pattern recognition 模式识别peak symmetry 峰不对称性peak valley 峰谷peak width at half height 半峰宽percent transmittance 透光百分率pH indicator absorbance ratio method? pH指示剂吸光度比值法pharmaceutical analysis 药物分析pharmacopeia 药典pharmacy 药学phenolphthalein 酚酞photodiode array detector(DAD) 光电二极管阵列检测器photometer 光度计pipeclay triangle 泥三角pipet(te) 吸移管，精密量取planar chromatography 平板色谱法plate storage rack 薄层板贮箱polarimeter 旋光计polarimetry 旋光测定法polarity 极性polyacrylamide gel 聚丙酰胺凝胶polydextran gel 葡聚糖凝胶polystyrene gel 聚苯乙烯凝胶polystyrene film 聚苯乙烯薄膜porous polymer beads 高分子多孔小球post-column derivatization 柱后衍生化potentiometer 电位计potentiometric titration 电位滴定法precipitation form 沉淀形式precision 精密度pre-column derivatization 柱前衍生化preparation 制剂prescription drug 处方药pretreatment 预处理primary standard 基准物质principal component analysis 主成分分析programmed temperature gas chromatography 程序升温气相色谱法prototype drug 原型药物provisions for new drug approval 新药审批办法purification 纯化purity 纯度pyrogen 热原pycnometric method 比重瓶法quality control(QC) 质量控制quality evaluation 质量评价quality standard 质量标准quantitative determination 定量测定quantitative analysis 定量分析quasi-molecular ion 准分子离子racemization 消旋化radioimmunoassay 放射免疫分析法random sampling 随机抽样rational use of drug 合理用药readily carbonizable substance 易炭化物reagent sprayer 试剂喷雾器recovery 回收率reference electrode 参比电极refractive index 折光指数related substance 有关物质relative density 相对密度relative intensity 相对强度repeatability 重复性replicate determination 平行测定reproducibility 重现性residual basic hydrolysis method 剩余碱水解法residual liquid junction potential 残余液接电位residual titration 剩余滴定residue on ignition 炽灼残渣resolution 分辨率，分离度response time 响应时间retention 保留reversed phase chromatography 反相色谱法reverse osmosis 反渗透rider peak 驼峰rinse 清洗，淋洗robustness 可靠性，稳定性routine analysis 常规分析round 修约（数字）ruggedness 耐用性safety 安全性Sakaguchi test 坂口试验salt bridge 盐桥salting out 盐析sample applicator 点样器sample application 点样sample on-line pretreatment 试样在线预处理sampling 取样saponification value 皂化值saturated calomel electrode(SCE) 饱和甘汞电极selectivity 选择性separatory funnel 分液漏斗shoulder peak 肩峰signal to noise ratio 信噪比significant difference 显著性差异significant figure 有效数字significant level 显著性水平significant testing 显著性检验silanophilic interaction 亲硅羟基作用silica gel 硅胶silver chloride electrode 氯化银电极similarity 相似性simultaneous equations method 解线性方程组法size exclusion chromatography(SEC) 空间排阻色谱法sodium dodecylsulfate, SDS 十二烷基硫酸钠sodium hexanesulfonate 己烷磺酸钠sodium taurocholate 牛璜胆酸钠sodium tetraphenylborate 四苯硼钠sodium thiosulphate 硫代硫酸钠solid-phase extraction 固相萃取solubility 溶解度solvent front 溶剂前沿solvophobic interaction 疏溶剂作用specific absorbance 吸收系数specification 规格specificity 专属性specific rotation 比旋度specific weight 比重spiked 加入标准的split injection 分流进样splitless injection 无分流进样spray reagent （平板色谱中的）显色剂spreader 铺板机stability 稳定性standard color solution 标准比色液standard deviation 标准差standardization 标定standard operating procedure(SOP) 标准操作规程standard substance 标准品stationary phase coating 固定相涂布starch indicator 淀粉指示剂statistical error 统计误差sterility test 无菌试验stirring bar 搅拌棒stock solution 储备液stoichiometric point 化学计量点storage 贮藏stray light 杂散光substituent 取代基substrate 底物sulfate 硫酸盐sulphated ash 硫酸盐灰分supercritical fluid chromatography(SFC) 超临界流体色谱法support 载体（担体）suspension 悬浊液swelling degree 膨胀度symmetry factor 对称因子syringe pump 注射泵systematic error 系统误差system model 系统模型system suitability 系统适用性tablet 片剂tailing factor 拖尾因子tailing peak 拖尾峰tailing-suppressing reagent 扫尾剂test of hypothesis 假设检验test solution(TS) 试液tetrazolium colorimetry 四氮唑比色法therapeutic drug monitoring(TDM) 治疗药物监测thermal analysis 热分析法thermal conductivity detector 热导检测器thermocouple detector 热电偶检测器thermogravimetric analysis(TGA) 热重分析法thermospray interface 热喷雾接口The United States Pharmacopoeia(USP) 美国药典The Pharmacopoeia of Japan(JP) 日本药局方thin layer chromatography(TLC) 薄层色谱法thiochrome reaction 硫色素反应three-dimensional chromatogram 三维色谱图thymol 百里酚（麝香草酚）（指示剂）thymolphthalein 百里酚酞（麝香草酚酞）（指示剂）thymolsulfonphthalein ( thymol blue) 百里酚蓝（麝香草酚蓝）（指示剂）titer, titre 滴定度time-resolved fluoroimmunoassay 时间分辨荧光免疫法titrant 滴定剂titration error 滴定误差titrimetric analysis 滴定分析法tolerance 容许限toluene distillation method 甲苯蒸馏法toluidine blue 甲苯胺蓝（指示剂）total ash 总灰分total quality control(TQC) 全面质量控制traditional drugs 传统药traditional Chinese medicine 中药transfer pipet 移液管turbidance 混浊turbidimetric assay 浊度测定法turbidimetry 比浊法turbidity 浊度ultracentrifugation 超速离心ultrasonic mixer 超生混合器ultraviolet irradiation 紫外线照射undue toxicity 异常毒性uniform design 均匀设计uniformity of dosage units 含量均匀度uniformity of volume 装量均匀性（装量差异）uniformity of weight 重量均匀性（片重差异）validity 可靠性variance 方差versus …对…，…与…的关系曲线viscosity 粘度volatile oil determination apparatus 挥发油测定器volatilization 挥发法volumetric analysis 容量分析volumetric solution(VS) 滴定液vortex mixer 涡旋混合器watch glass 表面皿wave length 波长wave number 波数weighing bottle 称量瓶weighing form 称量形式weights 砝码well-closed container 密闭容器xylene cyanol blue FF 二甲苯蓝FF（指示剂）xylenol orange 二甲酚橙（指示剂）zigzag scanning 锯齿扫描zone electrophoresis 区带电泳zwitterions 两性离子zymolysis 酶解作用簡體書目錄Chapter 1 Introduction 緒論1.1 The nature of analytical chemistry 分析化學的性質1.2 The role of analytical chemistry 分析化學的作用1.3 The classification of analytical chemistry分析化學的分類1.4 The total analytical process分析全過程Terms to understand重點內容概述Chapter 2 Errors and Data Treatment in Quantitative Analysis 定量分析中的誤差及數據處理2.1 Fundamental terms of errors誤差的基本術語2.2 Types of errors in experimental data實驗數據中的誤差類型2.2.1 Systematic errors 系統誤差2.2.2 Random errors偶然誤差2.3 Evaluation of analytical data分析數據的評價2.3.1 Tests of significance顯著性檢驗2.3.2 Rejecting data可疑值取捨2.4 Significant figures有效數字ProblemsTerms to understand重點內容概述Chapter 3 Titrimetric Analysis滴定分析法3.1 General principles基本原理3.1.1 Relevant terms of titrimetric analysis滴定分析相關術語3.1.2 The preparation of standard solution and the expression of concentration 標準溶液的配製與濃度表示方法3.1.3 The types of titrimetric reactions滴定反應類型3.2 Acid-base titration酸鹼滴定3.2.1 Acid-base equilibria 酸鹼平衡3.2.2 Titration curves滴定曲線3.2.3 Acid-base indicators酸鹼指示劑3.2.4 Applications of acid-base titration酸鹼滴定的應用3.3 Complexometric titration配位滴定3.3.1 Metal-chelate complexes金屬螯合物3.3.2 EDTA 乙二胺四乙酸3.3.3 EDTA titration curves EDTA滴定曲線3.3.4 Metal Ion indicators金屬離子指示劑3.3.5 Applications of EDTA titration techniques EDTA滴定方法的應用3.4 Oxidation-reduction titration氧化還原滴定3.4.1 Redox reactions氧化還原反應3.4.2 Rate of redox reactions氧化還原反應的速率3.4.3 Titration curves滴定曲線3.4.4 Redox indicators氧化還原指示劑3.4.5 Applications of redox titrations氧化還原滴定的應用3.5 Precipitation titration沉澱滴定3.5.1 Precipitation reactions沉澱滴定反應3.5.2 Titration curves滴定曲線3.5.3 End-point detection終點檢測ProblemsTerms to understand重點內容概述Chapter 4 Potentiometry 電位分析法4.1 Introduction簡介4.1.1 Classes and characteristics分類及性質4.1.2 Definition定義4.2 Types of potentiometric electrodes電極種類4.2.1 Reference electrodes 參比電極4.2.2 Indicator electrodes指示電極4.2.3 Electrode response and selectivity電極響應及選擇性4.3 Potentiometric methods and application電位法及應用4.3.1 Direct potentiometric measurement 直接電位法4.3.2 Potentiometric titrations電位滴定4.3.3 Applications of potentiometry 電位法應用ProblemsTerlns to understand重點內容概述Chapter 5 Chromatography色譜法5.1 An introduction to chromatographic methods色譜法概述5.2 Fundamental theory of gas chromatography氣相色譜基本原理5.2.1 Plate theory塔板理論5.2.2 Kinetic theory(rate theory) 速率理論5.2.3 The resolution Rs as a measure of peak separation 分離度5.3 Gas chromatography 氣相色譜5.3.1 Components of a gas chromatograph 氣相色譜儀的組成5.3.2 Stationary phases for gas-liquid chromatography 氣液色譜固定相5.3.3 Applications of gas-liquid chromatography 氣液色譜的應用5.3.4 Adsorption chromatography 吸附色譜5.4 High performance liquid chromatography 高效液相色譜5.4.1 Instrumentation 儀器組成5.4.2 High-performance partition chromatography 高效分配色譜5.5 Miscellaneous separation methods 其他分離方法5.5.1 High-performance ion-exchange chromatography 高效離子交換色譜5.5.2 Capillary electrophoresis 毛細管電泳5.5.3 Planar chromatography 平板色譜ProblemsTerms to understand重點內容概述Chapter 6 Atomic Absorption Spectrometry原子吸收光譜分析法6.1 Introduction 概述6.2 Principles 原理6.2.1 The process of AAS，resonance line and absorption line 原子吸收光譜法的過程，共振線及吸收線6.2.2 The number of ground atom and the temperature of flame 基態原子數與光焰溫度6.2.3 Quantitative analysis of AAS原子吸收光譜定量分析6.3 Instrumentation 儀器6.3.1 Primary radiation sources 光源6.3.2 Atomizer 原子儀器6.3.3 Optical dispersive systems 分光系統6.3.4 Detectors 檢測器6.3.5 Signal measurements 信號測量6.4 Quantitative measurements and interferences 定量測定及干擾6.4.1 Quantitative measurements 定量測定6.4.2 Interferences 干擾6.4.3 Sensitivity6.5 Applications of AAS原子吸收光譜法的應用ProblemsTerms to understand重點內容概述Chapter 7 Ultraviolet and Visible Spectrophotometry 紫外-可見分光光度法7.1 Introduction簡介7.2 Ultraviolet and visible absorption spectroscopy 紫外-可見吸收光譜7.2.1 Introduction for radiant energy 輻射能簡介7.2.2 Selective absorption of radiation and absorbance spectrum 物質對光的選擇性吸收和吸收光譜7.2.3 Absorbing species and electron transition 吸收物質與電子躍遷7.3 Law of absorption吸收定律7.3.1 Lambert-Beer's law朗伯-比爾定律7.3.2 Absorptivity吸光係數7.3.3 Apparent deviations from Beer's law對比爾定律的明顯偏離7.4 Instruments儀器7.5 General types of spectrophotometer分光光度計種類7.6 Application of UV-Vis absorption spectroscopy 紫外-可見吸收光譜的應用7.6.1 Application of absorption measurement to qualitative analysis 光吸收測定在定性分析上的應用7.6.2 Quantitative analysis by absorption measurements 光吸收測量定量分析法7.6.3 Derivative spectrophotometry 導數分光光度法ProblemsTerms to understand重點內容概述Chapter 8 Infrared Absorption Spectroscopy紅外吸收光譜8.1 Theory of infrared absorption紅外吸收基本原理8.1.1 Dipole changes during vibrations and rotations 振轉運動中的偶極距變化8.1.2 Mechanical model of stretching vibrations 伸縮振動機械模型8.1.3 Quantum treatment of vibrations 振動的量子力學處理、8.1.4 Types of molecular vibrations分子振動形式8.2 Infrared instrument components紅外儀器組成8.2.1 Wavelength selection波長選擇8.2.2 Sampling techniques 採樣技術8.2.3 Infrared spectrophotometers for qualitative analysis 定性分析用紅外分光光度計8.2.4 Other techniques其他技術8.3 The group frequencies of functional groups in organic compounds 有機化合物官能團的特徵頻率8.4 The factors affecting group frequencies 影響基團特徵吸收頻率的因素8.4.1 Adjacent groups 鄰近基團的影響。

pseudoreteaudii为同属不同种，或许是因为地域差异导致的种间差异，是否也表明在我国澳洲坚果种植区造成果实病害的Ca.pentaseptata与Ca. pseudoreteaudii这两种病原菌具有明显的区域性为害特征，即Ca.pentaseptata与Ca.pseudoreteaudii引起的果实病害为我国澳洲坚果种植区所特有的一种新病害。

在调查过程中还发现，这两种病原菌除引起澳洲坚果的果实感病外，还可引起叶斑、叶枯，严重的造成枝条回枯，说明这两种菌对澳洲坚果果树的危害不可忽视，或许还有一些潜在的危害可能尚未被发现，这两种菌有可能成为云南澳洲坚果栽培过程中重要的病原菌。

Ca.pseudoreteaudii产孢最适温度为25℃，孢子萌发最适温度为28℃，孢子萌发与相对湿度成正相关，黑暗有助于孢子萌发［16］，这些特性与澳洲坚果黑果病发生的环境高度相吻合。

澳洲坚果黑果病发生在高温、高湿的雨季，病害传播速度快，因而要控制黑果病的发生就必须改善果园的环境条件，即降低果园的湿度，增加果园的通风透光，进入发病期采用化学药剂控制。

４结论澳洲坚果黑果病主要发生在高温、高湿的雨季6—8月，种植过密、荫蔽度较高的果园易发生黑果病流行，控制该病害发生流行应采用综合防治措施：第一建立病虫害监测；第二加强果园修剪、施肥等田间管理；第三预防为主，进入雨季出现第一次连续降雨后适时采用化学药剂防治，化学药剂防治推荐使用唑醚·甲硫灵、多菌灵、甲基硫菌灵、丙环·咪鲜胺等4种常见药剂。

参考文献：[1]贺熙勇，陶亮，柳觐，等．国内外澳洲坚果产业发展概况及趋势［Ｊ］．中国热带农业，2017，74（1）：4-11,18．[2]AndréDrenth，Olufemi A，Akinsanmi，Andrew Miles．Macadamia diseases in Australia［Ｊ］．Southern African Macadamia Growers`Association Year Book，2009（17）．https:///publication[3]詹儒林．国内外澳洲坚果主产区病虫害的发生与防治［Ｊ］．南方果树，1998，27（5）：23-28．[4]Jiang GZ，Tao L，Yue H，He XY．First report of fruit Rotcaused by Phytophthora heveae on macadamia in Yunnan, China［Ｊ］．Plant disease，2020（12）．https://doi.org/10.1094/PDIS[5]Jiang GZ，Gao Feng，Yue Hai，Tao Liang，He Xiyong．First report of fruit brown spot disease caused by Calonec-tria pentaseptata on macadamia in Yunnan,China［Ｊ］．Plant Disease，2019（4）.https:///10.1094/PDIS-05-19-0963-PDN．[6]Crous PW,Wingfield MJ．A monograph of Cylindrocladi-um,including anamorphs of Calonectria［Ｊ］．Mycotaxon，1994（51）：341-435．[7]庄文颖．中国真菌志第四十七卷《丛赤壳科生赤壳科》［Ｍ］．北京：科学出版社，2013，47：65-66．[8]White TJ，Bruns T，Lee S，et al．Amplification and directsequencing of fungal ribosomal RNA genes for phylogenies ［Ｍ］//．Innis MA，Gelfand DH，Sninsky JJ．PCR proto-cols：a guide to methods and applications．San Diego：Aca-demic Press，1990：315-322．[9]Crous PW，Kang JC，Schoch CL，et al．Phylogenetic rela-tionships of Cylindrocladium peseudogracile and Cylindro-cladium rumohrae with morphologically similar taxa,based om morphology and DNA sequences of internal transcribed spacers and beta-tubulin［Ｊ］．Canadian Journal of Bota-ny，1999，77：1813-1820．[10]Glass NL，Donaldson GC．Development of primer setsdesigned for use with the PCR to amplify conserved genes from filamentous Ascomycetes［Ｊ］．Applied and Environ-ment Microbiology，1995，61（4）：1323-1330．[11]Carbone I，Kohn LM．A method for designing primersets for speciation studies in filamentous ascomycetes ［Ｊ］．Mycologia，1999，94（3）：553-556．[12]Orbach MJ，Porroe EB，Yanofsky C．Cloning and charac-terization of the gene for beta-tubulin from a benomyl-resis-tant mutant of Neurospora crassa and its use as a dominant selectable marker［Ｊ］．Molecular&Cellular Biology，1986，6（7）：2452-2461．[13]陈全助，郭文硕，叶小真，等．福建省桉树焦枯病菌分类鉴定［Ｊ］．福建林学院学报，2013，33（2）：176-182．[14]殷瑜．广州地区丽赤壳属真菌的种类鉴定［Ｄ］．广州：仲恺农业工程学院，2016．[15]蒋桂芝，何双凌，岳海，等．澳洲坚果褐斑病的病原鉴定及生物学特性［Ｊ］．植物保护，2020，46（2）：107-111．[16]陈全助，陈慧洁，郭文硕，等．福建省桉树焦枯病菌（Calonectria pseudoreteaudii）生物学特性测定［Ｊ］．福建林学院学报，2014，34（4）：328-332．外源硒对李子果实农艺性状及内含物的影响初探张瑛，顿春垚，李双龙，万松胜＊（恩施州林业科学研究院，湖北恩施445000）摘要摘要：：探索施外源硒营养液对李子果实农艺性状及内含物的影响，在李子果实膨大期进行叶面喷施，采收后对果实农艺性状和内含物进行现测比较。

成都理工大学学生毕业设计（论文）外文译文极，（b）光电子是后来ηNph，（c）这些∝ηNph电子在第一倍增极和到达（d）倍增极的k（k = 1，2…）放大后为δk 并且我们假设δ1=δ2=δ3=δk=δ的，并且δ/δ1≈1的。

我们可以得出：R2=Rlid2=5.56δ/[∝ηNph（δ-1）] ≈5.56/Nel （3）Nel表示第一次到达光电倍增管的数目。

在试验中，δ1≈10＞δ2=δ3=δk，因此，在实际情况下，我们可以通过（3）看出R2的值比实际测得大。

请注意，对于一个半导体二极管（不倍增极结构）（3）也适用。

那么Nel就是是在二极管产生电子空穴对的数目。

在物质不均匀，光收集不完整，不相称和偏差的影响从光电子生产过程中的二项式分布及电子收集在第一倍增极不理想的情况下，例如由于阴极不均匀性和不完善的重点，我们有：R2=Rsci2+Rlid2≈5.56[(νN-1/Nel)+1/Nel] (4)νN光子的产生包括所有非理想情况下的收集和1/Nel的理想情况。

为了说明，我们在图上显示，如图1所示。

ΔE/E的作为伽玛射线能量E的函数，为碘化钠：铊闪烁耦合到光电倍增管图。

1。

对ΔE/E的示意图（全曲线）作为伽玛射线能量E功能的碘化钠：铊晶体耦合到光电倍增管。

虚线/虚线代表了主要贡献。

例如见[9,10]。

对于Rsci除了1/（Nel）1/2的组成部分，我们看到有两个组成部分，代表在0-4％的不均匀性，不完整的光收集水平线，等等，并与在0-400代表非相称keV的最大曲线。

表1给出了E=662Kev时的数值（137Cs）在传统的闪烁体资料可见。

从图一我们可以清楚的看到在低能量E＜100Kev，如果Nel，也就是Nph增大的话，是可以提高能量分辨率的。

这是很难达到的，因为光额产量已经很高了（见表1）在能量E＞300Kev时，Rsci主要由能量支配其能量分辨率，这是没办法减小Rsci 的。

然而，在下一节我们将会讲到，可以用闪烁体在高能量一样有高的分辨率。

常用分析化学专业英语词汇absorbance 吸光度absorbent 吸附剂absorption curve 吸收曲线absorption peak 吸收峰absorptivity 吸收系数accident error 偶然误差accuracy 准确度acid-base titration 酸碱滴定acidic effective coefficient 酸效应系数acidic effective curve 酸效应曲线acidity constant 酸度常数activity 活度activity coefficient 活度系数adsorption 吸附adsorption indicator 吸附指示剂affinity 亲和力aging 陈化amorphous precipitate 无定形沉淀amphiprotic solvent 两性溶剂amphoteric substance 两性物质amplification reaction 放大反应analytical balance 分析天平analytical chemistry 分析化学analytical concentration 分析浓度analytical reagent (AR) 分析试剂apparent formation constant 表观形成常数aqueous phase 水相argentimetry 银量法ashing 灰化atomic spectrum 原子光谱autoprotolysis constant 质子自递常数auxochrome group 助色团back extraction 反萃取band spectrum 带状光谱bandwidth 带宽bathochromic shift 红移blank 空白blocking of indicator 指示剂的封闭bromometry 溴量法buffer capacity 缓冲容量buffer solution 缓冲溶液burette 滴定管calconcarboxylic acid 钙指示剂calibrated curve 校准曲线calibration 校准catalyzed reaction 催化反应cerimetry 铈量法charge balance 电荷平衡chelate 螯合物chelate extraction 螯合物萃取chemical analysis 化学分析chemical factor 化学因素chemically pure 化学纯chromatography 色谱法chromophoric group 发色团coefficient of variation 变异系数color reagent 显色剂color transition point 颜色转变点colorimeter 比色计colorimetry 比色法column chromatography 柱色谱complementary color 互补色complex 络合物complexation 络合反应complexometry complexometric titration 络合滴定法complexone 氨羧络合剂concentration constant 浓度常数conditional extraction constant 条件萃取常数conditional formation coefficient 条件形成常数conditional potential 条件电位conditional solubility product 条件溶度积confidence interval 置信区间confidence level 置信水平conjugate acid-base pair 共轭酸碱对constant weight 恒量contamination 沾污continuous extraction 连续萃取continuous spectrum 连续光谱coprecipitation 共沉淀correction 校正correlation coefficient 相关系数crucible 坩埚crystalline precipitate 晶形沉淀cumulative constant 累积常数curdy precipitate 凝乳状沉淀degree of freedom 自由度demasking 解蔽derivative spectrum 导数光谱desiccant; drying agent 干燥剂desiccator 保干器determinate error 可测误差deuterium lamp 氘灯deviation 偏差deviation average 平均偏差dibasic acid 二元酸dichloro fluorescein 二氯荧光黄dichromate titration 重铬酸钾法dielectric constant 介电常数differential spectrophotometry 示差光度法differentiating effect 区分效应dispersion 色散dissociation constant 离解常数distillation 蒸馏distribution coefficient 分配系数distribution diagram 分布图distribution ratio 分配比double beam spectrophotometer 双光束分光光度计dual-pan balance 双盘天平dual-wavelength spectrophotometry 双波长分光光度法electronic balance 电子天平electrophoresis 电泳eluent 淋洗剂end point 终点end point error 终点误差enrichment 富集eosin 曙红equilibrium concentration 平衡浓度equimolar series method 等摩尔系列法Erelenmeyer flask 锥形瓶eriochrome black T (EBT) 铬黑T error 误差ethylenediamine tetraacetic acid (EDTA) 乙二胺四乙酸evaporation dish 蒸发皿exchange capacity 交换容量extent of crosslinking 交联度extraction constant 萃取常数extraction rate 萃取率extraction spectrphotometric method 萃取光度法Fajans method 法杨斯法ferroin 邻二氮菲亚铁离子filter 漏斗filter 滤光片filter paper 滤纸filtration 过滤fluex 溶剂fluorescein 荧光黄flusion 熔融formation constant 形成常数frequency 频率frequency density 频率密度frequency distribution 频率分布gas chromatography (GC) 气相色谱grating 光栅gravimetric factor 重量因素gravimetry 重量分析guarantee reagent (GR) 保证试剂high performance liquid chromatography (HPLC) 高效液相色谱histogram 直方图homogeneous precipitation 均相沉淀hydrogen lamp 氢灯hypochromic shift 紫移ignition 灼烧indicator 指示剂induced reaction 诱导反应inert solvent 惰性溶剂instability constant 不稳定常数instrumental analysis 仪器分析intrinsic acidity 固有酸度intrinsic basicity 固有碱度intrinsic solubility 固有溶解度iodimetry 碘滴定法iodine-tungsten lamp 碘钨灯iodometry 滴定碘法ion association extraction 离子缔合物萃取ion chromatography (IC) 离子色谱ion exchange 离子交换ion exchange resin 离子交换树脂ionic strength 离子强度isoabsorptive point 等吸收点Karl Fisher titration 卡尔•费歇尔法Kjeldahl determination 凯氏定氮法Lambert-Beer law 朗泊-比尔定律leveling effect 拉平效应ligand 配位体light source 光源line spectrum 线状光谱linear regression 线性回归liquid chromatography (LC) 液相色谱macro analysis 常量分析masking 掩蔽masking index 掩蔽指数mass balance 物料平衡matallochromic indicator 金属指示剂maximum absorption 最大吸收mean, average 平均值measured value 测量值measuring cylinder 量筒measuring pipette 吸量管median 中位数mercurimetry 汞量法mercury lamp 汞灯mesh [筛]目methyl orange (MO) 甲基橙methyl red (MR) 甲基红micro analysis 微量分析mixed constant 混合常数mixed crystal 混晶mixed indicator 混合指示剂mobile phase 流动相Mohr method 莫尔法molar absorptivity 摩尔吸收系数mole ratio method 摩尔比法molecular spectrum 分子光谱monoacid 一元酸monochromatic color 单色光monochromator 单色器neutral solvent 中性溶剂neutralization 中和non-aqueous titration 非水滴定normal distribution 正态分布occlusion 包藏organic phase 有机相ossification of indicator 指示剂的僵化outlier 离群值oven 烘箱paper chromatography(PC) 纸色谱parallel determination 平行测定path lenth 光程permanganate titration 高锰酸钾法phase ratio 相比phenolphthalein (PP) 酚酞photocell 光电池photoelectric colorimeter 光电比色计photometric titration 光度滴定法photomultiplier 光电倍增管phototube 光电管pipette 移液管polar solvent 极性溶剂polyprotic acid 多元酸population 总体postprecipitation 后沉淀precipitant 沉淀剂precipitation form 沉淀形precipitation titration 沉淀滴定法precision 精密度preconcentration 预富集predominance-area diagram 优势区域图primary standard 基准物质prism 棱镜probability 概率proton 质子proton condition 质子条件protonation 质子化protonation constant 质子化常数purity 纯度qualitative analysis 定性分析quantitative analysis 定量分析quartering 四分法random error 随机误差range 全距(极差)reagent blank 试剂空白Reagent bottle 试剂瓶recording spectrophotometer 自动记录式分光光度计recovery 回收率redox indicator 氧化还原指示剂redox titration 氧化还原滴定referee analysis 仲裁分析reference level 参考水平reference material (RM) 标准物质reference solution 参比溶液relative error 相对误差resolution 分辨力rider 游码routine analysis 常规分析sample 样本,样品sampling 取样self indicator 自身指示剂semimicro analysis 半微量分析separation 分离separation factor 分离因数side reaction coefficient 副反应系数significance test 显著性检验significant figure 有效数字simultaneous determination of multiponents 多组分同时测定single beam spectrophotometer 单光束分光光度计single-pan balance 单盘天平slit 狭缝sodium diphenylamine sulfonate 二苯胺磺酸钠solubility product 溶度积solvent extraction 溶剂萃取species 型体(物种)specific extinction coefficient 比消光系数spectral analysis 光谱分析spectrophotometer 分光光度计spectrophotometry 分光光度法stability constant 稳定常数standard curve 标准曲线standard deviation 标准偏差standard potential 标准电位standard series method 标准系列法standard solution 标准溶液standardization 标定starch 淀粉stationary phase 固定相steam bath 蒸气浴stepwise stability constant 逐级稳定常数stoichiometric point 化学计量点structure analysis 结构分析supersaturation 过饱和systematic error 系统误差test solution 试液thermodynamic constant 热力学常数thin layer chromatography (TLC) 薄层色谱titrand 被滴物titrant 滴定剂titration 滴定titration constant 滴定常数titration curve 滴定曲线titration error 滴定误差titration index 滴定指数titration jump 滴定突跃titrimetry 滴定分析trace analysis 痕量分析transition interval 变色间隔transmittance 透射比tri acid 三元酸true value 真值tungsten lamp 钨灯ultratrace analysis 超痕量分析UV-VIS spectrophotometry 紫外-可见分光光度法volatilization 挥发Volhard method 福尔哈德法volumetric flask 容量瓶volumetry 容量分析Wash bottle 洗瓶washings 洗液water bath 水浴weighing bottle 称量瓶weighting form 称量形weights 砝码working curve 工作曲线xylenol orange (XO) 二甲酚橙zero level 零水平异步处理dispatch_async(dispatch_get_glo bal_queue(0, 0), ^{// 处理耗时操作的代码块... [self test1];//通知主线程刷新dispatch_async(dispatch_get_mai n_queue(), ^{//或者说是通知主线程刷新，NSLog(............);});。