USE OF NONRELATIVISTIC WAVEFUNCTIONS FOR PREDICTION OF PROPERTIES OF MOLECULES CONTAINING ATOMS OF HIGH Z - PBO AS A TEST CASE

被引：14

作者：

SCHWENZER, GM

LISKOW, DH

SCHAEFER, HF

BAGUS, PS

LIU, B

MCLEAN, AD

YOSHIMINE, M

机构：

[1] UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA

[2] IBM CORP, RES LAB, SAN JOSE, CA 95114 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 58卷 / 08期

关键词：

D O I：

10.1063/1.1679639

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：3181 / 3184

页数：4

共 13 条

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[9] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].

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[10] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .2. OVERLAP POPULATIONS, BOND ORDERS, AND COVALENT BOND ENERGIES [J].

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