AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - BENZENE AND NAPHTHALENE ISOMER CHARACTERIZATIONS AND AROMATICITY CONSIDERATIONS

被引：81

作者：

CHRISTOFFERSEN, RE

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1971年 / 93卷 / 17期

关键词：

D O I：

10.1021/ja00746a002

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：4104 / +

页数：1

相关论文

共 40 条

[1] [Anonymous], INT J QUANTUM CHEM
[2] GROUND STATES OF SIGMA-BONDED MOLECULES .6. BENZENE AND ITS ISOMERS . INDUCTIVE EFFECTS IN BENZENE
BAIRD, NC
DEWAR, MJS
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (02) : 352 - &
[3] CONSTRUCTION OF SOME MOLECULAR ORBITALS TO BE APPROXIMATELY INVARIANT FOR CHANGES FROM ONE MOLECULE TO ANOTHER
BOYS, SF
[J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 296 - 299
[4] BRESLOW R, 1968, CHEM BRIT, V4, P100
[5] ULTRAVIOLET SPECTRA OF NON-ALTERNANT HYDROCARBONS - SIGNIFICANCE OF NON-NEIGHBOUR RESONANCE INTEGRALS AND OF CONFIGURATION-INTERACTION
BROWN, RD
BURDEN, FR
WILLIAMS, GR
[J]. AUSTRALIAN JOURNAL OF CHEMISTRY, 1968, 21 (08) : 1939 - &
[6] Ab initio SCF calculations for azulene and naphthalene
Buenker, R. J.
Peyerimhoff, S. D.
[J]. CHEMICAL PHYSICS LETTERS, 1969, 3 (01) : 37 - 42
[7] AB INITIO SCF MO AND CI CALCULATIONS ON ELECTRONIC SPECTRUM OF BENZENE
BUENKER, RJ
WHITTEN, JL
PETKE, JD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) : 2261 - &
[8] AB INITIO STUDY ON STABILITY AND GEOMETRY OF CYCLOBUTADIENE
BUENKER, RJ
PEYERIMHOFF, SD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (01) : 354 - +
[9] STRUCTURE OF HEXAMETHYL(DEWAR BENZENE)
CARDILLO, MJ
BAUER, SH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (08) : 2399 - +
[10] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - HYDROCARBON CHARACTERIZATIONS
CHRISTOF.RE
GENSON, DW
MAGGIORA, GM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (01) : 239 - &

← 1 2 3 4 →