GAUSSIAN-BASIS SETS FOR USE IN CORRELATED MOLECULAR CALCULATIONS .1. THE ATOMS BORON THROUGH NEON AND HYDROGEN

被引：29119

作者：

DUNNING, TH

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 02期

关键词：

D O I：

10.1063/1.456153

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：1007 / 1023

页数：17

共 54 条

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[7] THEORETICAL-STUDIES OF THE POTENTIAL SURFACE FOR THE F+H-2-]HF+H REACTION [J].

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[9] A FULL CL TREATMENT OF THE 1A1, 1B1, AND 3B1 STATES OF SIH2 [J].

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[10] THE IMPACT OF HIGHER POLARIZATION BASIS-SETS ON MOLECULAR ABINITIO RESULTS .3. THE GROUND-STATE OF CL-2 IN COMPARISON WITH OTHER DIATOMICS [J].

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