MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .8. GEOMETRIES, ENERGIES, AND POLARITIES OF C3 HYDROCARBONS

被引：631

作者：

RADOM, L

LATHAN, WA

HEHRE, WJ

POPLE, JA

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1971年 / 93卷 / 21期

关键词：

D O I：

10.1021/ja00750a005

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

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页码：5339 / &

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[1] MOLECULAR G VALUES, MAGNETIC SUSCEPTIBILITIES, MOLECULAR QUADRUPOLE MOMENTS, AND SIGN OF ELECTRIC DIPOLE MOMENT IN CYCLOPROPENE
BENSON, RC
FLYGARE, WH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (07) : 3087 - &
[2] THEORETICAL STUDY OF GEOMETRY REACTIVITY AND SPECTRUM OF CYCLOPROPANE
BUENKER, RJ
PEYERIMH.SD
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1969, 73 (05) : 1299 - &
[3] NON EMPIRICAL LCAO-MO-SCF CALCULATIONS WITH GAUSSIAN TYPE FUNCTIONS ON SOME 3 MEMBERED RING HETEROCYCLES .2. ENERGIES AND POPULATION ANALYSIS
CLARK, DT
[J]. THEORETICA CHIMICA ACTA, 1969, 15 (03): : 225 - &
[4] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) : 724 - +
[5] A FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL OF MOLECULAR STRUCTURE .4. HYDROCARBONS
FROST, AA
ROUSE, RA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (08) : 1965 - &
[6] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .5. MOLECULAR THEORY OF BOND SEPARATION
HEHRE, WJ
DITCHFIELD, R
RADOM, L
POPLE, JA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (16) : 4796 - +
[7] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
STEWART, RF
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) : 2657 - +
[8] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .3. AB-INITIO STUDIES OF CHARGE DISTRIBUTION USING A MINIMAL SLATER-TYPE BASIS
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (08) : 2191 - +
[9] HEHRE WJ, TO BE PUBLISHED
[10] HEHRE WJ, IN PRESS