MOLECULAR-ORBITALS FROM GROUP ORBITALS .4. QUANTITATIVE PERTURBATIONAL MOLECULAR-ORBITAL ANALYSIS OF METHYL ROTATIONAL BARRIERS IN (CH3)2X MOLECULES - EFFECT OF FRAGMENTATION MODE UPON RESULTS OF ANALYSIS

被引：20

作者：

WHANGBO, MH ^{[1
]}

WOLFE, S ^{[1
]}

机构：

[1] QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA

来源：

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1977年 / 55卷 / 15期

关键词：

D O I：

10.1139/v77-386

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：2778 / 2787

页数：10

共 10 条

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[9] INTERNAL ROTATION IN (CH3)2X MOLECULES OF C2V SYMMETRY - BARRIER TO INTERNAL ROTATION IN DIMETHYL ETHER [J].

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[10] MOLECULAR-ORBITALS FROM GROUP ORBITALS .3. QUANTITATIVE PERTURBATIONAL MOLECULAR-ORBITAL ANALYSIS OF ABINITIO SCF-MO WAVE-FUNCTIONS [J].

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