AB-INITIO MOLECULAR-ORBITAL THEORY

被引：356

作者：

HEHRE, WJ ^{[1
]}

机构：

[1] UNIV CALIF IRVINE, DEPT CHEM, IRVINE, CA 92717 USA

来源：

ACCOUNTS OF CHEMICAL RESEARCH | 1976年 / 9卷 / 11期

关键词：

D O I：

10.1021/ar50107a003

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：399 / 406

页数：8

共 50 条

[31] INVERSION BARRIERS IN PARA-SUBSTITUTED ANILINES FROM AB-INITIO MOLECULAR-ORBITAL THEORY
HEHRE, WJ
POPLE, JA
RADOM, L
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1972, (11) : 669 - &
[32] AB-INITIO SCF MOLECULAR-ORBITAL STUDY ON CONFORMATION OF SEROTONIN AND BUFOTENINE
PORT, GNJ
PULLMAN, B
THEORETICA CHIMICA ACTA, 1974, 33 (03): : 275 - 278
[33] STRUCTURES OF SIMPLE ANIONS FROM AB-INITIO MOLECULAR-ORBITAL CALCULATIONS
RADOM, L
AUSTRALIAN JOURNAL OF CHEMISTRY, 1976, 29 (08) : 1635 - 1640
[34] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS ON WATER CARBON DIOXIDE SYSTEM - MOLECULAR COMPLEXES
JONSSON, B
KARLSTROM, G
WENNERSTROM, H
CHEMICAL PHYSICS LETTERS, 1975, 30 (01) : 58 - 59
[35] MOLECULAR-COMPLEX BETWEEN LITHIUM AND FORMALDEHYDE - AN AB-INITIO MOLECULAR-ORBITAL STUDY
YANG, H
LIAU, YH
SU, TM
JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (01): : 177 - 186
[36] AB-INITIO MOLECULAR-ORBITAL AND MOLECULAR GRAPHICS STUDIES OF BENZENE ADSORPTION IN NAY ZEOLITE
OMALLEY, PJ
BRAITHWAITE, CJ
ZEOLITES, 1995, 15 (03): : 198 - 201
[37] MOLECULAR GEOMETRY AND MULLIKEN-WALSH MOLECULAR-ORBITAL MODEL - AB-INITIO STUDY
BUENKER, RJ
PEYERIMH.SD
CHEMICAL REVIEWS, 1974, 74 (02) : 127 - 188
[38] ELUCIDATION OF PRIMARY RADIATION-DAMAGE IN DNA THROUGH APPLICATION OF AB-INITIO MOLECULAR-ORBITAL THEORY
COLSON, AO
SEVILLA, MD
INTERNATIONAL JOURNAL OF RADIATION BIOLOGY, 1995, 67 (06) : 627 - 645
[39] TETRAFLUOROCYCLODISILAZANES - SYNTHESIS, CRYSTAL-STRUCTURE, AND MOLECULAR-ORBITAL AB-INITIO CALCULATIONS
MULLER, T
APELOIG, Y
HEMME, I
KLINGEBIEL, U
NOLTEMEYER, M
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1995, 494 (1-2) : 133 - 142
[40] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS ON THE ASSOCIATED COMPLEXES OF LITHIUM CYANIDE WITH AMMONIA
MOHANDAS, P
SHIVAGLAL, MC
CHANDRASEKHAR, J
SINGH, S
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1995, 55 (06) : 477 - 484

← 1 2 3 4 5 →