quantum chemistry
英 [ˈkwɒntəm ˈkemɪstri]
美 [ˈkwɑːntəm ˈkemɪstri]
量子化学
双语例句
- The basic principle and theory of quantum chemistry.
量子化学理论计算方法的基本原理。 - The calculation of the quantum chemistry shows the reaction mechanism of the condensation reaction.
利量子化学计算方法讨论了该缩合反应的机理。 - 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。 - 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。 - Application of quantum mechanics to atomic structure, molecular bonding, and spectroscopy gives us quantum chemistry.
将量子力学应用于原子结构，分子键及光谱学即形成量子化学。 - Discussion on Introducing Some Contents of Quantum Chemistry into the Course of Physical Chemistry
在物理化学课程中引入量子化学内容 - In this paper, the rate constant and equilibrium constant of the crack reaction of methyl silicane were obtained with the transition state theory and quantum chemistry calculation.
本文采用过渡态理论和量子化学计算方法，首次计算得到了甲硅烷裂解反应的速率常数和平衡常数，并对结果进行了讨论。 - Quantum chemistry study on adsorption of gases on coal surface
气体与煤表面吸附作用的量子化学研究 - Study on Crystal Structure and Quantum Chemistry of the Tribenzyltin Chloride
三苄基氯化锡的晶体结构及量子化学研究 - Design, Syntheses, Structures and Quantum Chemistry Research on a Series of Transition Metal Complexes
系列过渡金属配合物的设计、合成、结构及量子化学研究 - Synthesis structure and quantum chemistry study of one-dimensional chain iron(ⅱ) complex
一维链状铁（Ⅱ）配合物的合成、晶体结构及量子化学研究 - This work shows that the quantum chemistry study of NMR can serve as a promising tool in aiding structural assignment of natural products.
此外我们的研究还表明，NMR的量子化学计算为天然产物的结构鉴定提供了一种新的工具。 - The infrared spectrum analysis showed that aluminum dodecyl sulfonate was found on the absorption compound, thus verifying the results of quantum chemistry calculations.
红外光谱分析在吸附复合物上发现了十二烷基磺酸铝的生成，证实了量子化学计算结果。 - Pyrolysis mechanisms of benzoic acid and benzaldehyde based on quantum chemistry
苯甲酸和苯甲醛热解机理的量子化学研究 - Study on quantum chemistry of AlF molecular properties in the external electric field
AlF分子外场效应的量子化学研究 - The Quantum Chemistry Study of the Drug Molecules and the Functional Coordination Compounds; Structure-based drug molecule design and organic synthesis; Chemical biology.
药物分子及功能配合物的量子化学研究药物小分子合成；计算机辅助药物设计；化学生物学。 - Study on the potential energy function for the Ground state of HCl molecule by quantum chemistry methods
耦合簇方法对HCl分子基态势能函数的研究 - Quantum chemistry study of the inhibitive properties of benzimidazoles
苯并咪唑类化合物缓蚀性能的量子化学研究 - Quantum Chemistry Investigation of Adsorption in Type-A Zeolite
A型分子筛模型及吸附的量子化学研究 - The electric structures of double-chain of hydroxy polyacene were studied by quantum chemistry crystal orbital CNDO/ 2 method, and considered the hydrogen-binding interaction of hydroxy-polyacene.
采用量子化学晶体轨道CNDO／2方法，在考虑了羟基代聚并苯氢键作用的基础上对其双链模型的电子结构进行系列的计算和讨论。 - Quantum Chemistry Investigation into Antimicrobial Activity of Food Preservatives
食品防腐剂抑菌性能的量子化学研究 - Study on Oxidation Mechanisms of Sulfur Compounds in the Oil by Quantum Chemistry
用量子化学方法研究石油中含硫化合物的氧化机理 - Quantum Chemistry Study of the Structures, Properties, and Semiconductor Performance of Phthalocyanine Complexes
酞菁类配合物的构效关系及其半导体性质的量子化学研究 - Applications of Quantum Chemistry Methods in the Calculation of Physical 、 Chemical 、 Biological Properties of Compounds
量子化学方法在计算化合物物理、化学、生物学性质中的应用 - International Journal of Quantum Chemistry.
国际量子化学杂志。 - 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 - Quantum chemistry is still in its infancy.
量子化学仍处于发展初期。 - Study on electrochemical corrosion of copper by IR spectroelectrochemistry and quantum chemistry methods
铜的电化学腐蚀过程的红外光谱电化学及量子化学方法研究 - Quantum Chemistry Study on Catalytic Mechanism of Ca on NO-Char Heterogeneous Reaction
金属钙对煤焦异相还原NO催化机理的量子化学研究 - Quantum chemistry studies on the stability of cyclodextrin derivatives
环糊精衍生物稳定性的量子化学研究