SCF-LCAO-MO CALCULATIONS ON ROTATIONAL BARRIER IN NITROSOMETHANE

被引：11

作者：

MOCHEL, AR ^{[1
]}

GRIFFIN, LL ^{[1
]}

KRAMLING, RW ^{[1
]}

BOGGS, JE ^{[1
]}

机构：

[1] UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 58卷 / 09期

关键词：

D O I：

10.1063/1.1679771

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：4040 / 4041

页数：2

共 13 条

[1]

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BASCH, H .

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[3]

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DAVIS, DR .

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[5] MICROWAVE SPECTRUM INTERNAL ROTATION DIPOLE MOMENT QUADRUPOLE COUPLING AND STRUCTURE OF NITROSOMETHANE [J].

COFFEY, D ;

BRITT, CO ;

BOGGS, JE .

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[6] ATTRACTIVE NATURE OF ROTATIONAL BARRIER IN ACETALDEHYDE [J].

DAVIDSON, RB ;

ALLEN, LC .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (07) :2828-&

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

FINK, WH ;

ALLEN, LC .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (06) :2261-&

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

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&

[9] The attractive rotational barrier in nitrosomethane [J].

Kollman, Peter A. ;

Allen, Leland Co .

CHEMICAL PHYSICS LETTERS, 1970, 5 (02) :75-76

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

PITZER, RM ;

LIPSCOMB, WN .

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

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