INTERNAL ROTATION BARRIERS FOR HYDRAZINE AND HYDROXYLAMINE FROM AB INITIO LCAU-MO-SCF WAVEFUNCTIONS

被引：133

作者：

FINK, WH

PAN, DC

ALLEN, LC

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1967年 / 47卷 / 03期

关键词：

D O I：

10.1063/1.1712054

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：895 / &

共 11 条

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ALLEN, LC .

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[3] 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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[4]

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[6]

Kasuya T, 1962, SCI PAP I PHYS CHEM, V56, P1

[7] ON INTERNAL ROTATION POTENTIAL IN H2O2 [J].

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[8] AB INITIO CALCULATIONS OF BARRIERS TO INTERNAL ROTATION OF CH3CH3 CH3NH2 CH3OH N2H4 H2O2 AND NH2OH [J].

PEDERSEN, L ;

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JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :3941-&

[9] CALCULATION OF BARRIER TO INTERNAL ROTATION IN ETHANE [J].

PITZER, RM ;

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JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (08) :1995-&

[10] QUANTUM MECHANICAL CALCULATIONS ON BARRIERS TO INTERNAL ROTATION .I. SELF-CONSISTENT-FIELD WAVE FUNCTIONS AND THEORETICAL POTENTIAL ENERGY CURVES FOR HYDRAZINE MOLECULE IN GAUSSIAN APPROXIMATION [J].

VEILLARD, A .

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