quantum chemistry的例句大全

Quantum Chemistry Research on the Structures and Properties of Adamantane and Tetrahedrane Energetic Derivatives

金刚烷和四面体烷高能衍生物结构和性能的量子化学研究

It is of great interest in computational and theoretical chemistry to investigate the chemical reactions and determine the reaction mechanism by using ab initio quantum chemistry calculations recently.

目前，利用量子化学从头算来研究化学反应，确定化学反应的机理是理论和计算化学的一个重要课题。

Empirical Rules of Selecting Catalyst and Essential Theory of Quantum Chemistry of Catalysis for Organic Ionic Reactions

有机离子反应催化剂选择规则及其量子化学原理

Quantum Chemistry Study on Deep Impurity States of Transition Metals in Silicon

硅中过渡金属深杂质态的量子化学研究

Quantum Chemistry Research of Pyrolysis Mechanism of Carbon Matrix Precursor ─ Reaction energy change, orbital energy and relative stability

碳前驱体热解机理的理论研究&反应能量、自由基的轨道能级及相对稳定性

In Chapter 2, introduces elementary theory and quantum chemistry computation methods, which mainly contained the reaction surface, crossing rules of the potential energy surfaces, tradition transition state theory, spin-orbit coupling mechanism, rules for intersystem crossing and natural bond orbital theory.

第二章简要地介绍了量子化学计算方法，主要包括量子化学基本理论和反应势能面、势能面相交与不相交规则、过渡态理论和系间窜越的选择规则。

Quantum Chemistry Study on Stability and Reactivity of Reactive Intermediate of Starch Super-water-absorbent Resin Synthesis of super absorbent polymer of acrylic acid series by means of aqueous solution polymerization

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水溶液法合成丙烯酸系高吸水性树脂

Application of SCC DV X α Computational Method of Quantum Chemistry to Cement

量子化学SCC-DV-Xα计算方法在水泥化学研究中的应用

A study of extraction, determination by HPLC and quantum chemistry calculation of daphnetin

祖师麻甲素的提取、高效液相色谱测定及量子化学研究

A quantum chemistry study on the influence of hydrogen bond on the acidity of maleic acid and fumaric acid

氢键对马来酸、富马酸酸度影响的量子化研究

Average value of electrons momentum of two representations in Quantum Chemistry

量子化学中两种表象的电子动量平均值

To illustrate the atomic orbital and electronic cloud is an important part in the research and education of quantum chemistry and structural chemistry.

绘制原子轨道和电子云图形是量子化学、结构化学研究和教学的重要内容。

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。

Quantum Chemistry Study on Ni ( II) Coordination Compound with 5-Br-PADAP

Ni（Ⅱ）-（5-Br-PADAP）2配合物的量子化学研究

Quantum Chemistry Study on Short-range Structure of Shape Memory Alloy Ti-Ni and Memory Mechanism Investigation

形状记忆合金Ti Ni微观结构的量化研究及记忆机理初探

The Electron Cloud Displacement Model in The Ab Initio Calculation for Quantum Chemistry(ⅱ) Polyatomic Molecule

量子化学从头计算中的电子云移动模型（Ⅱ）多原子分子

Distribution of the electron cloud in the HOMO and LUMO levels are discussed from the view of quantum chemistry.

从量子化学的角度探讨了染料分子中的电子云在HOMO能级与LUMO能级的分布。

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

Quantum chemistry calculation for bis ( 3 ′, 3 ′ dinitroazetidine) one was made by using SCF MO AM1 code and the optimal geometric configuration and electronic structure were obtained therefrom.

还用SCFMOAM1方法对二（3，3二硝基氮杂环丁烷）酮进行了“量化”计算，求得了全优化几何构型和电子结构。

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