| 单词 | quantum chemistry |
| 释义 | 例句释义: 量子化学,量子化学方法,量子化学计算 1. Quantum chemistry methods and molecular modeling technology are the main branches of the computational chemistry. 量子化学方法和分子模拟是计算化学的主要分支。 www.showxiu.com 2. The present work provides a useful way to deal with quantum chemistry calculations of the kind of molecular crystals like urea. 提供了一种解决分子晶体量子化学理论计算的新思路。 www.dictall.com 3. Analyzing the characteristics of CVD process, the main calculation in quantum chemistry methods was introduced. 本文分析了化学气相沉积过程的特点，并对量子化学计算的主要方法进行介绍。 www.chemyq.com 4. In the paper the electronic structures of the template molecules are discussed through quantum chemistry calculation. 同时采用量子化学的方法对活性构象模板分子电子结构作了讨论。 www.chemyq.com 5. In principle, it is possible with the development of quantum chemistry and computing technology. 量子化学和现代计算技术的发展，已基本上能满足这一要求。 www.ceps.com.tw 6. In Chapter II, the quantum chemistry theory, the topological analysis of electron density and the relevant dynamics theory are summarized. 第二章介绍了现代量子化学基本理论、量子拓扑学原理及动力学的相关理论。 www.fabiao.net 7. One is an introduction to computational techniques in quantum chemistry and the other is an introduction on scattering theory. 一是在量子化学方面的计算的技术的介绍，另一个是关于散射理论的一个介绍。 www.tzhealth.com 8. In this paper, the recent applications of quantum chemistry principles in research of lithium ion batteries was reviewed. 本文综述了近年来量子化学原理在锂离子电池研究中的应用。 www.ceps.com.tw 9. Some calculational techniques in quantum chemistry approaches of the excited states of small systems are discussed. 讨论了小分子激发态的量子化学计算中的一些技巧性的问题。 www.chemyq.com 10. Metal-free indoline dyes for dye-sensitized solar cells were studied by employing quantum chemistry methods. 对于应用于无金属染料敏感太阳能电池的吲哚染料用量子化学方法进行研究。 www.ceps.com.tw 1. Significant biological applications of quantum chemistry are on the increase. 量子化学的重要生物学应用正在不断增加。 tr.bab.la 2. Topics of study include quantum chemistry and computer simulation of structures and actions. 课程包括量子化学，计算机模拟结构和行为等。 www.oxvard.com 3. In recent years, it has consisted primarily of quantum chemistry, i. e. 近年来，理论化学主要包括量子化学，即应用量子力学来解决化学问题。 instapedia.com 4. They have also released a special version of the CD with tools for molecular quantum chemistry. 另外还发布了一个特殊版本的CD，内有分子量子化学的工具。 www.ibm.com 5. This text is designed as a practical introduction to quantum chemistry. 这份正文被设计为实际的量子化学的介绍。 www.tzhealth.com 6. METHOD: 12 emodin derivatives structural parameters were calculated using AM1 method of quantum chemistry. 方法：采用量子化学的AM1算法，计算了12个大黄素衍生物分子的结构参数，并用逐步回归分析，筛选结构参数。 www.dictall.com 7. The hydrogenlike atom is the single most important system in quantum chemistry. 类氢原子在量子化学中是独特的而最重要的体系。 www.kuenglish.info 8. The MNDO semiempirical quantum chemistry method was used to study the conformation of diphenyl sulfide and diphenyl sulfoxide. 本文使用MNDO半经验量子化学方法对二苯硫醚和二苯亚砜的构象进行研究。 www.chemyq.com 9. To study the reaction mechanism of CVD (chemical vapor deposition) reaction system, quantum chemistry methods are proved highly potential. 量子化学方法在研究化学气相沉积反应体系的反应机理、动力学计算方面有很大的潜力。 www.chemyq.com 10. Syntheses, Crystal Structures and Quantum Chemistry Study of the Rare Earth Complexes with the Benzimidazole Derivative Ligand 含苯并咪唑基配体的稀土配合物的合成、结构及量子化学研究 www.ilib.cn 1. Quantum Chemistry Study of the Adsorption of Benzene on Platinum and its Solvent Effect 苯与铂化学吸附作用及其溶剂效应的量子化学研究 service.ilib.cn 2. The Quantum Chemistry Calculation of the Active Site of a Novel Vanadium-Containing Superoxide Dismutase 钒模拟超氧化物歧化酶的活性中心计算 ilib.cn 3. Spectroscopic characterization and quantum chemistry study of coixenolide 薏苡仁酯的波谱表征及量子化学研究 www.ilib.cn 4. The Quantum Chemistry Study of the Structure and Activation of Diphenyl Methyl Piperazine 二苯甲基哌嗪类化合物结构与活性的量子化学研究 service.ilib.cn 5. Quantum Chemistry and Structure-Activity Relationship Studies of Artemisinin and its Derivatives 青蒿素及其衍生物的量子化学及构效关系研究 www.ilib.cn 6. Synthesis, Characterization and Quantum Chemistry Calculation of Nickel-containing Superoxide Dismutase Mimic 镍超氧化物歧化酶模型化合物的合成、表征和量化计算 ilib.cn 7. Quantum Chemistry Study on the Relationship between the Structure and Performance of Lubrication Additive 润滑添加剂结构与性能的量子化学研究 ilib.cn 8. Synthesis, Characterization and Quantum Chemistry Calculation of Manganese Superoxide Dismutase Mimic 锰超氧化物歧化酶模型化合物的合成、表征及量化计算 ilib.cn 9. Quantum chemistry study of polyaspartic acid scale-corrosion inhibitor 聚天冬氨酸阻垢缓蚀剂的量子化学研究 www.ilib.cn 10. Synthesis and quantum chemistry study of N-benzyl-phenylpropanolamine N-苄基苯丙醇胺的合成及量化计算研究 scholar.ilib.cn 1. Study on the heat of reaction of diamond nanoparticles by quantum chemistry method 纳米金刚石反应热的量子化学研究 www.ilib.cn 2. Quantum Chemistry Study on the Insertion Reaction of Silylene and Its Substituted Species to Saturated Bond 硅烯及取代硅烯与饱和键插入反应的量子化学研究 scholar.ilib.cn 3. A Quantum Chemistry Study of Podophyllotoxin Derivatives 鬼臼毒素衍生物的量子化学研究 www.ilib.cn 4. Stability Analysis of Berberine Fragment Ions by Mass Spectrometry and Quantum Chemistry Studies on Fragmentation Mechanism 小檗碱质谱碎片离子稳定性分析及碎裂机理的量子化学研究 www.ilib.cn 5. Quantum chemistry study of five heterocyclic compounds 五员杂环化合物的量子化学理论研究 www.ilib.cn 6. The Creation of the Calculation Models of Macrocycle Molecules by Combining of the Graph and Quantum Chemistry Program 图形软件与量化软件联合用于创建大环分子计算模型 www.ilib.cn 7. Quantum Chemistry Calculation of Multi-metal Coupling System and Its Application 多金属偶合体系的量子化学计算及其应用 service.ilib.cn 8. Electronic transport properties of molecular device analysis using quantum chemistry software 利用量子化学软件分析分子器件上的电子输运性质 service.ilib.cn 9. Quantum Chemistry Study on the Abstraction Reaction of Alkylidenecarbene and Its Substituted Species with Oxirane 亚烷基卡宾及取代亚烷基卡宾与环氧乙烷反应的量子化学研究 www.ilib.cn 10. Synthesis of Sebacoyl Hydroxamic Acid and Its Complexes and Quantum Chemistry Calculation of the Ligand 癸二酰异羟肟酸及其金属配合物的合成和配体的量化计算 service.ilib.cn 1. Quantum chemistry study of pKa for norepinephrine in aqueous solution 溶液中去甲肾上腺素pKa值的量子化学研究 service.ilib.cn 2. Quantum chemistry study on structure- activity relationship of cinnamyl- isobutylamine 桂皮酰异丁胺类化合物定量构效关系的量子化学研究 www.ilib.cn 3. Application of principal component analysis in date processing of quantum chemistry calculations on nucleic acid bases 主成分分析方法在核酸碱基量子化学计算数据处理中的应用 service.ilib.cn 4. Quantum chemistry studies on microscopic mechanism of scale and corrosion inhibition for carboxyl phosphonic acid 羧酸膦酸型化合物的阻垢缓蚀性能的量子化学研究 scholar.ilib.cn 5. Quantum Chemistry Applied to Condensation Mechanism of Formation of Alkyl Polyethyleneamide 多胺基烷基酰胺生成机理的量子化学研究 www.ilib.cn 6. Quantum Chemistry Study on Microscopic Mechanism of Scale and Corrosion Inhibition for Organic Phosphonic Acid 有机膦酸化合物阻垢缓蚀性能的量子化学研究 ilib.cn 7. Quantum Chemistry Study of Effect Mechanism of Polymer on Coal Surface 煤表面与高分子作用机理的量子化学研究 168.160.184.82:8080 8. Synthesis, Crystal Structures and Quantum Chemistry Study of Scorpionates Oxovadium Complexes 蝎型钒氧配合物的合成、结构及量子化学研究 ilib.cn 9. Quantum Chemistry Study on Stability and Reactivity of Reactive Intermediate of Starch Super-water-absorbent Resin 淀粉系高吸水性树脂反应中间体稳定性及反应活性的量子化学研究 www.ilib.cn 10. Quantum Chemistry Study on the Cycloaddition Reaction of Dibromocarbene and Formaldehyde 单重态二溴卡宾和甲醛环加成反应的量化研究 www.ilib.cn 1. Interprets of quantum chemistry on alternant polarization of even alternant hydrocarbons 偶交替烃交替极化的量子化学解释 service.ilib.cn 2. Quantum Chemistry Study on Fluorescence Spectra of Four Polycyclic Aromatic Hydrocarbons 四种芳香稠环化合物荧光光谱的量子化学研究 ilib.cn 3. Study on Electron Structure and Conformation of Pesticide Imidacloprid with Quantum Chemistry 新农药咪蚜胺电子结构与构象的量子化学研究 www.ilib.cn 4. A Quantum Chemistry Study of Pyridine, Pyrazine and Triazine 吡啶、吡嗪和均三嗪的量子化学理论研究 service.ilib.cn 5. Application of Quantum Chemistry Calculation to the Structure Analysis and Spectra Interpretation of Diaryl-Dithio-Phosphinic Acid 量化计算在二芳基二硫代膦酸结构和光谱分析中的应用 service.ilib.cn 6. Quantum Chemistry Studies on the Comparison of Five-membered Carbon Rings, Nitrogen Rings and Phosphorus Rings 五员碳环、氮环和磷环比较的量子化学研究 www.ilib.cn 7. Study on Synthesis, Crystal Structure and Quantum Chemistry of the Tri(o-chloro-benzyl)tin Chloride 三（邻氯苄基）氯化锡的合成、结构和量子化学研究 www.ilib.cn 8. Quantum chemistry studies of triatomic heterocyclic compounds 三元杂环化合物的量子化学研究 www.ilib.cn 9. A Quantum Chemistry Study on the Electronic Structure of Mercapto Flotation Reagents and Its Coordination with Metal Ions 巯基类浮选药剂电子结构及其与金属离子作用的量子化学研究 www.ilib.cn 10. Quantum Chemistry Calculation on Mineral Surface Chemistry Character of Apatite 磷灰石矿物表面化学特性的量子化学计算 www.ilib.cn 1. Quantum chemistry calculation of interaction of hydrogen and carbon nanotube defects 氢气分子与碳纳米管缺陷相互作用的量子化学计算 www.ilib.cn 2. Quantum Chemistry Calculation for the Chemical Structure of Butyryl-chitooligosaccharide 丁酰化甲壳低聚糖化学结构的量子化学计算 www.ilib.cn 3. demulsification mechanism; H-bond action; quantum chemistry; 原油破乳剂；破乳机理；氢键作用；量子化学； dictsearch.appspot.com 4. Quantum chemistry study on fluorescence spectra of three aromatic hydrocarbons 三种芳烃化合物荧光光谱的量子化学研究 ilib.cn 5. Multicenter Integral in Numerical Computation of Quantum Chemistry 量子化学数值计算的多中心积分 service.ilib.cn 6. Modern Methods and Algorithms of Quantum Chemistry: Poster Presentations 量子化学现代方法和算法会议墙报摘要 chin.csdl.ac.cn 7. A Quantum Chemistry Study on the Electronic Structure of Flotation Reagents and Its Coordination with Sulphide Ore 黄药类浮选药剂电子结构与浮选机理的量子化学研究 www.ilib.cn 8. Study on Structure and Hydrophilicity of Perfluoropolyether Surfactants with Quantum Chemistry 全氟聚乙醚表面活性剂的结构和亲水性质的量子化学研究 www.ilib.cn 9. Quantum chemistry study on fluorescence spectra of four flavanone derivatives 四种黄烷酮类化合物荧光光谱的量子化学研究 ilib.cn 10. Quantum Chemistry Calculations of Dielectric Properties of Urea Crystal 尿素晶体介电性能的量子化学计算 service.ilib.cn 1. Quantum Chemistry Research in Etherification of Isoamylene and Methanol 异戊烯与甲醇成醚反应机理的量子化学研究 www.ilib.cn 2. Study on mechanism of catalytic hydrogenation of quinoline using quantum chemistry 喹啉催化加氢机理的量子化学研究 www.ilib.cn 3. QSPR study on glass transition temperatures of polystyrenes by using Quantum-Chemistry descriptors 量子化学参数研究聚苯乙烯类玻璃化温度的定量构效关系 www.ilib.cn 4. Analysis on the Decomposition Mechanism of a Kind of Propellant by Quantum Chemistry Method 一种推进剂分解机理的量子化学方法分析 www.ilib.cn 5. Mass Spectrometry and Quantum Chemistry Study on the Methanol Dehydration to Dimethyl Ether 甲醇缩合生成二甲醚的质谱和量子化学研究 scholar.ilib.cn 6. Molecular Design of High Energetic Density Materials--Calculation of Detonation Velocity and Detonation Pressure Based on Quantum Chemistry 高能量密度材料分子设计--基于量子化学计算爆速和爆压 www.ilib.cn 7. Quantum Chemistry Study on Fluorescence Spectra of Three Flavonoid Compounds 三种黄酮类化合物荧光光谱的量子化学研究 ilib.cn 8. Quantum chemistry study on fluorescence spectra of five flavonol derivatives 五种黄酮醇类化合物荧光光谱的量子化学研究 www.ilib.cn 9. Quantum Chemistry Calculation of the Copper and Zinc Active Site of Natural Enzyme 铜锌金属天然酶活性中心量子化学计算 www.ilib.cn 10. Preliminary Study on Degradability of Polychlorinated Dibenzo-p-Dioxins from Quantum Chemistry Viewpoint 多氯代二苯并二口恶口英降解性的量子化学初探 www.ilib.cn 1. Quantum chemistry calculation on titanium diboride crystal 二硼化钛电子结构的量子化学计算 www.ilib.cn 2. Surface Chemistry of Kaolinite by Quantum Chemistry Calculations 高岭石矿物表面化学的量子化学研究 ilib.cn 3. Advances in Quantum Chemistry: Response Theory and Molecular Properties (Volume 50, Advances in Quantum Chemistry) 量子化学进展：反应理论与分子特性（卷50，量子化学进展） book.cepiec.com.cn 4. Quantum Chemistry Study on Fluorescence Spectra of Four Flavonoid Compounds 四种黄酮类化合物荧光光谱的量子化学研究 www.ilib.cn 5. Quantum Chemistry Prediction of Retention Behavior of Bonded Stationary Phase in HPLC 量子化学计算预测高效液相色谱键合相的保留机理 www.ilib.cn 6. Quantum Chemistry Calculation on the Alcoholysis of Dichloromethylsilane 二氯甲基硅烷醇解的量化计算 www.ilib.cn 7. Quantum Chemistry Study on the UV Spectrum of Olefin Hydrocarbon Homologous Compound 烯烃同系物紫外光谱的量子化学研究 www.ilib.cn 8. Quantum Chemistry Study on Fluorescence Spectra of Five Benzothiazolyl Pyrazoline Compounds 种苯并噻唑基吡啉类化合物荧光光谱的量子化学研究 ilib.cn 9. Group Theory and Its Application to Quantum Chemistry 群论及其在量子化学中的应用 lilybbs.net 10. Quantum chemistry study on several nitrogen-containing arene EL materials 几种含氮芳烃化合物EL材料的量子化学研究 www.ilib.cn 1. Quantum chemistry methods and their applications to CVD reaction system 化学气相沉积反应研究的量子化学方法及应用 zhidao.baidu.com 2. The application of quantum chemistry to the analysis of chromatography 量子化学方法在色谱分析中的应用 ilib.cn 3. Nanjing University: Lecture Notes of Modern Quantum Chemistry 南京大学：量子化学讲义 chin.csdl.ac.cn 4. Applications of Quantum Chemistry Principles in Research of Li-Ion Batteries 量子化学原理在锂离子电池研究中的应用 scholar.ilib.cn 5. for his development of computational methods in quantum chemistry 发展了量子化学中的计算方法 zh.wikipedia.org 6. Quantum Chemistry Studies on Mechanism of Gas Phase Photochemical Chlorination of 2-Chloropyridine 2-氯吡啶气相光氯化反应机理的量子化学研究 www.ilib.cn 7. Progress in Quantum Chemistry Studies on Molecular Magnetism 分子磁性的量子化学研究进展 scholar.ilib.cn 8. Study on Synthesis, Crystal Structure and Quantum Chemistry of the Tetra (p-Chlorobenzyl) Tin 四（对氯苄基）锡的合成、结构和量子化学研究 www.ilib.cn 9. Quantum chemistry parameters in QSAR toxicity studies of anilines 量子化学参数用于苯胺类化合物的QSAR毒性研究 www.ilib.cn 10. Quantum Chemistry Calculation of Sesbania Gum Molecule 田菁胶大分子的量子化学计算 scholar.ilib.cn 1. A Review on the Quantum Chemistry Calculation about the Nonlinear Hyperpolarizabilities of Organic Compounds 有机化合物非线性极化率的量子化学计算 service.ilib.cn 2. International Journal of Quantum Chemistry 国际量子化学杂志 bbs.pep.com.cn 3. Study on quantum chemistry and molecule design of novel conductive polymer 新型导电聚合物的量子化学研究和分子设计 auto.qingdaonews.com 4. A parallel algorithm using finite element method in quantum chemistry 一种量子化学有限元并行计算方法 www.ilib.cn 5. Studies on Surface Tension of Alkyl Sulfate Using a Quantum Chemistry Method 烷基硫酸盐表面张力的量子化学研究 www.ilib.cn 6. Study on Synthesis, Crystal Structure and Quantum Chemistry of the Tri(o-chlorobenzyl)tin Ferrocenecarboxylate 二茂铁甲酸（三邻氯苄基）锡配合物的合成、结构和量子化学研究 www.ilib.cn 7. Measurements of Electronic Spectra and Researches on Quantum Chemistry for Silica Aerogels 硅气凝胶电子能谱的测定与量子化学研究 service.ilib.cn 8. Software of Quantum Chemistry & its Application 量子化学软件及其应用 wenku.baidu.com 9. Quantum Chemistry Study on the Reaction Mechanism of CH Radical and NO CH自由基与NO反应机理的量子化学研究 www.ilib.cn 10. The Calculational Studies of Quantum Chemistry on Halogenated Phosphathioketene and Related Molecules 卤代磷杂硫烯酮及其相关分子的量子化学计算研究 www.ilib.cn 1. Dipole Moment in Quantum Chemistry Calculation 量子化学计算中的电偶极矩 www.ichacha.net 2. Synthesis, Crystal Structure and Quantum Chemistry of the One-dimensional Chain Tri(o-fluorobenzyl)tin Ferrocenecarboxylate 一维链状三（邻氟苄基）锡二茂铁甲酸酯的合成、结构和量子化学研究 scholar.ilib.cn 3. The study about conjugated heterocycle affecting on the structure and nonlinear optical properties of Schiff base with quantum chemistry 共轭杂环对席夫碱体系结构和非线性光学性质影响的量子化学研究 service.ilib.cn 4. Quantum chemistry study on luminescent properties of tripheyl compounds 三联苯及其取代物荧光性能的量子化学研究 www.ilib.cn 5. Molecular Physics and Elements of Quantum Chemistry 分子物理学和量子化学基础 www.carreviews.cn 6. A Quantum Chemistry Study on the Electronic Structure of Diethaneolimine and Its Toxicosis to Catalyst 亚氨基二乙醇的电子结构及其毒性机制的量子化学研究 www.ilib.cn 7. Advances of Quantum Chemistry in Cement Chemistry Field 量子化学在水泥化学领域的研究进展 gsytb.nextage.cn 8. Study on Effect of Particle Size on the Adsorption by Quantum Chemistry Method 粒度对吸附影响的量子化学研究 www.ilib.cn 9. Quantum Chemistry Study on Luminescent Properties of Three 2-styrylbenzothiazole Compounds 三种2-苯乙烯基苯并噻唑类化合物荧光性能的量子化学研究 www.ilib.cn 10. Quantum chemistry study of fluorescence spectra of three kinds of clinic drug molecules 种临床药物分析关联结构荧光光谱的量子化学研究 ilib.cn 1. Quantum Chemistry Calculation of Schiff Base Derived from PMBP and Furfuryl Amine PMBP缩呋喃甲胺席夫碱的量子化学计算 www.ilib.cn 2. Quantum Chemistry Calculation of Schiff Base Derived from PMBP with o-Aminophenol PMBP缩邻氨基酚席夫碱的量子化学计算与研究 www.ilib.cn 3. Quantum Chemistry Study on the Reaction Mechanism of CO with OH CO和OH自由基反应机理的量子化学研究 www.ilib.cn 4. The Calculational Studies of Quantum Chemistry on Cyclotrisilene and Related Molecules 环三硅烯及其相关分子的量子化学计算研究 www.ilib.cn 5. Study on Pyridine Adsorption in H-MOR by Quantum Chemistry 吡啶在H-MOR分子筛孔道中吸附的量子化学研究 www.ilib.cn 6. Quantum Chemistry Study on Electronic Structure of Vanadium Hydride 钒氢化物电子结构的量子化学研究 service.ilib.cn 7. Synthesis, Crystal Structure, Activity and Quantum Chemistry of Trinuclear Complex of Bis(2-benzimidazolylmethyl) amine 二（2-苯并咪唑亚甲基）胺配合物的合成、晶体结构、活性和量子化学研究 scholar.ilib.cn 8. Quantum chemistry studies on QHS 青蒿素的量子化学研究 www.ilib.cn 9. Study on Synthesis and Crystal Structure and Quantum Chemistry of the Dibenzyltin Bis(2-quininate) 二苄基锡二（2-哇啉甲酸）酯的合成、结构及量子化学研究 www.ilib.cn 10. Study on Synthesis and Crystal Structure and Quantum Chemistry of the Di(o-fluorobenzyl)tin Bis(2-quininate) 二（2-喹啉甲酸）二（邻氟苄基）锡配合物的合成、结构和量子化学研究 www.ilib.cn 1. Molecular Structure of Propadiene as Seen from Ab Iintio Calculation in Quantum Chemistry 丙二烯分子结构的量子化学从头计算 www.ilib.cn 2. Quantum Chemistry Study on Fluorescence Spectra of Three Kinds of Medicinal Molecules 种药物分子荧光光谱的量子化学研究 ilib.cn 3. Quantum chemistry study on fluorescence spectra of three kinds of multi-ring arene compounds 种多环芳烃化合物荧光光谱的量子化学研究 ilib.cn 4. Study on synthesis, structure and quantum chemistry of tri (o-bromobenzyl) tin 3-indolylacrylate 三（邻溴苄基）锡3-吲哚丙烯酸酯的合成、结构和量子化学研究 www.ilib.cn 5. Quantum Chemistry Study on Fluorescence Spectra of Three Kinds of Amino Acids 三种氨基酸荧光光谱的量子化学研究 ilib.cn |
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