AN AB INITIO SCF-LCAO-MO STUDY OF NITROGEN INVERSION BARRIERS IN AMMONIA AND ETHYLENIMINE

被引：33

作者：

VEILLARD, A

LEHN, JM

MUNSCH, B

机构：

来源：

THEORETICA CHIMICA ACTA | 1968年 / 9卷 / 03期

关键词：

D O I：

10.1007/BF00526607

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：275 / &

共 12 条

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[4]

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[6] ORIGIN OF ROTATIONAL BARRIERS .I. MANY-ELECTRON MOLECULAR ORBITAL WAVEFUNCTIONS FOR ETHANE METHYL ALCOHOL AND HYDROGEN PEROXIDE [J].

FINK, WH ;

ALLEN, LC .

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[7] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

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[8]

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[9]

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[10] GAUSSIAN BASIS SCF CALCULATIONS FOR OH- H2O NH3 AND CH4 [J].

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