molecular orbital

A physical model for calculating cation stabilization energies in chrome spinels has been proposed. Based on classical and quantum mechanics, this model embodies the crystal field theory and the molecular orbital theory.

本文提出了一种计算铬尖晶石阳离子占位稳定能的物理模型，它的理论基础是经典力学和量子力学，这种模式包括了晶体场理论和分子轨道理论。

Molecular Orbital Theory on Chain Conjugate Polymers(ⅱ)& Linearity Rule for Homologous Series in Conjugate Systems

直链共轭高分子的分子轨道理论（Ⅱ）&共轭体系的同系线性规律

The relation between resonance theory and molecular orbital theory was illustrated by concrete examples.

通过实例说明了共振论与分子轨道理论的关系.

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.

The perturbation molecular orbital theory and the reactivity and regioselectivity of 1, 3-dipolar cycloaddition

微扰分子轨道理论与1,3-偶极环加成反应的反应性和区域选择性

But let's go ahead and start our discussion in terms of molecular orbital theory.

让我们从，分子轨道理论开始讲起。

This paper presented the point of theory of energy band which based on molecular orbital theory.

本文介绍了建立在分子轨道理论基础上的能带理论的要点.

Natural bond orbital analysis shows that these H-bonds can be interpreted with the theory of inter-and intra-molecular hyperconjugation and rehybridization.

自然键轨道分析表明分子内与分子间超共轭和重杂化理论可以解释这些氢键的形成机制。

Molecular Orbital Theory and Pericyclic Reactions: Modern concepts of bonding and aromaticity.

分子轨道理论和周环反应: 关于化学键和芳香性的现代概念.