quantum chemistry的例句大全

The Quantum Chemistry Study on Structures and Properties of 5-substituted Indole Derivatives

5-取代吲哚衍生物结构和性能的量子化学研究

dipole moment in quantum chemistry calculation

量子化学计算中的电偶极矩

Quantum chemistry studies on molecular structure and character of the flavonoids in herbs of corn silk and their anti-oxidation activity

几种玉米须黄酮分子结构性质及抗氧化活性的量子化学研究

Study on the Quantum Chemistry Evaluation Method of Fitness Training of the Chinese Major Young Women Volleyball Players

对我国重点青年女排身体训练效果量化评定分析方法的研究

Quantum Chemistry Study of Structure-activity Relationship of Monocycle β-lactam Antibiotics in Aqueous Solution

在水溶液中单环β-内酰胺抗生素结构与活性关系的量子化学计算

Quantum Chemistry Studies on the Interaction Between Metal Cation and Nucleic Acid Potential Function Method

金属离子与核酸相互作用的量子化学研究&势函数法

The thermodynamic and kinetic studies have been carried out on the reaction of singlet CCl2 and ozone O3 at 200K-2000K, using statistic thermodynamics and Eyring transition state theory with Wigner correction on the basis of quantum chemistry.

在量化计算的基础上运用统计热力学和Wigner校正的Eyring过渡态理论研究了不同温度下单重态CCl2和臭氧O3反应的热力学及动力学性质。

Study of the quantum chemistry model of sn2 'and Se 2' reaction transition states

S N2′和S E2′反应过渡态的量子化学模型探讨

The intact quantum chemistry software package can only apply to the isolated system, while the system we studied is an open system because of the connection with leads and driven by the bias.

由于普通的量子化学程序包主要是用来计算孤立体系的，而在我们的计算中，由于分子与导线相连，加上偏压后，会有电子流人或流出，因而是一个开放的体系。

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.

He is one of the leaders of the Scandinavian DALTON quantum chemistry project and a main author of the associate program package.

北欧DALTON量子化学计划领导之一，是相关计算软件包的主要著者。

This qualitative approach to molecular orbital theory represents the dawn of modern quantum chemistry.

这种分子轨道定性的方法可谓是量子化学的曙光.

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.

At last, we calculate the structure of the target product by quantum chemistry, we get the information of energy, bond length, bond angle and IR spectrum by this calculation.

最后，对合成的目标产物进行量子化学计算，得到了物质的能量、键长、键角和红外光谱等数据。

Study of the Similar Enzyme Catalyzed Reaction with Quantum Chemistry

类酶催化反应机理的量子化学的研究

Quantum Chemistry Research for the Nucleophilic Displacement Reaction about Monochlorobenzene

氯苯亲核取代反应的量子化学研究初步

Polypyrrole was studied by quantum chemistry method of simple molecular orbital theory. The result was quite coincident with the conjecture.

采用简单分子轨道理论的量子化学方法对聚吡咯进行了研究.计算结果表明，聚吡咯膜电极的氢离子响应机理与推测的结论相吻合。

The relative stabilities of intermediate compounds and titanium monoxide were examined deeply with quantum chemistry, crystal field and chemical bond theory.

运用量子化学、晶体场及化学成键理论，深入分析了中间化合物及一氧化钛的相对稳定性。

The studies of chemical sensor material sno_2 on Quantum Chemistry

化学传感材料S nO2的量子化学研究

Study of Oxygen Reduction Catalyzed by MnO_2 in the Light of Quantum Chemistry

MnO2催化氧还原的量子化学研究