BARRIERS TO INTERNAL-ROTATION AND OBSERVABLES OF GROUND STATE FOR HYDROGEN PEROXIDE

被引：20

作者：

GUIDOTTI, C

MAESTRO, M

LAMANNA, U

MOCCIA, R

机构：

来源：

THEORETICA CHIMICA ACTA | 1972年 / 27卷 / 01期

关键词：

D O I：

10.1007/BF00528225

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：55 / &

共 9 条

[1] ROTATIONAL BARRIERS IN HYDROGEN PEROXIDE [J].

DAVIDSON, RB ;

ALLEN, LC .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :519-&

[2] HARTREE-FOCK CALCULATION OF BARRIER TO INTERNAL ROTATION IN HYDROGEN PEROXIDE [J].

DUNNING, TH ;

WINTER, NW .

CHEMICAL PHYSICS LETTERS, 1971, 11 (02) :194-&

[3] 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-&

[4] INTERNAL-ROTATION IN HYDROGEN PEROXIDE - FAR-INFRARED SPECTRUM AND DETERMINATION OF HINDERING POTENTIAL [J].

HUNT, RH ;

LEACOCK, RA ;

PETERS, CW ;

HECHT, KT .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (06) :1931-&

[5] Variable bases in SCF mo calculations [J].

Moccia, R. .

CHEMICAL PHYSICS LETTERS, 1970, 5 (05) :260-264

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

PALKE, WE ;

PITZER, RM .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :3948-&

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

PEDERSEN, L ;

MOROKUMA, K .

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

[8] GEOMETRY OPTIMIZATION IN COMPUTATION OF BARRIERS TO INTERNAL ROTATION [J].

STEVENS, RM .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (03) :1397-&

[9] RELAXATION DURING INTERNAL ROTATION ETHANE AND HYDROGEN PEROXYDE [J].

VEILLARD, A .

THEORETICA CHIMICA ACTA, 1970, 18 (01) :21-&

← 1 →