ABINITIO MOLECULAR-ORBITAL CALCULATIONS OF THE INFRARED-SPECTRA OF HYDROGEN-BONDED COMPLEXES OF WATER, AMMONIA AND HYDROXYLAMINE .1. EFFECT OF CHOICE OF BASIS SET ON THE PREDICTED GEOMETRIES AND SPECTRA OF THE MONOMERS

被引：34

作者：

YEO, GA ^{[1
]}

FORD, TA ^{[1
]}

机构：

[1] UNIV WITWATERSRAND, DEPT CHEM, JOHANNESBURG 2001, SOUTH AFRICA

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1986年 / 141卷

关键词：

D O I：

10.1016/0022-2860(86)80344-1

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：331 / 340

页数：10

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