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

被引：262

作者：

FINK, WH

ALLEN, LC

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1967年 / 46卷 / 06期

关键词：

D O I：

10.1063/1.1841031

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：

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页码：2261 / &

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共 31 条

[1] BASIS FUNCTIONS FOR ABINITIO CALCULATIONS
ALLEN, LC
KARO, AM
[J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 275 - 285
[2] GEOMETRY OF MOLECULES .3. F2O LI2O FOH LIOH
BUENKER, RJ
PEYERIMHOFF, SD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (10) : 3682 - +
[3] GEOMETRY OF MOLECULES .2. DIBORANE AND ETHANE
BUENKER, RJ
PEYERIMHOFF, SD
ALLEN, LC
WHITTEN, JL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (08) : 2835 - +
[4] BUENKER RJ, TO BE PUBLISHED
[5] BARRIER TO INTERNAL ROTATION IN ETHANE
CLEMENTI, E
DAVIS, DR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (07) : 2593 - +
[6] NOTE ON THE INTERNAL ROTATION PROBLEM
CLINTON, WL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1960, 33 (02) : 632 - 633
[7] CALCULATION OF BARRIER TO INTERNAL ROTATION OF ETHANE
GOODISMAN, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 2085 - +
[8] VALENCE BOND CALCULATION OF THE BARRIER TO INTERNAL ROTATION IN MOLECULES
HARRIS, GM
HARRIS, FE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (06) : 1450 - 1453
[9] INTERNAL-ROTATION IN HYDROGEN PEROXIDE - FAR-INFRARED SPECTRUM AND DETERMINATION OF HINDERING POTENTIAL
HUNT, RH
LEACOCK, RA
PETERS, CW
HECHT, KT
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (06) : 1931 - &
[10] LCAO-SCF COMPUTATIONS FOR HYDROGEN PEROXIDE
KALDOR, U
SHAVITT, I
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 1823 - &

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