Semi-empirical molecular orbital models for transition metal inorganics and organometallics.

被引：0

作者：

Hehre, WJ ^{[1
]}

Yu, JG ^{[1
]}

机构：

[1] WAVEFUNCT INC,IRVINE,CA 92715

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1996年 / 211卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：216 / PMSE

页数：1

共 50 条

[41] CHEMISORPTION OF HYDROGEN ON DIFFERENT PLANES OF GRAPHITE - A SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATION
CHEN, JP
YANG, RT
SURFACE SCIENCE, 1989, 216 (03) : 481 - 488
[42] Ozonolysis of methyl, amino and nitro substituted ethenes: A semi-empirical molecular orbital study
Kharbuli, A. Munaf
Lyngdoh, R. H. Duncan
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2008, 860 (1-3): : 150 - 160
[43] CITATION CLASSIC - RAPID GEOMETRY OPTIMIZATION FOR SEMI-EMPIRICAL MOLECULAR-ORBITAL METHODS
MCIVER, JW
CURRENT CONTENTS/ENGINEERING TECHNOLOGY & APPLIED SCIENCES, 1988, (15): : 16 - 16
[44] SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATION OF ATOM-PAIR INTERACTIONS IN A MOLECULE
CHUNGPHILLIPS, A
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (05) : 1087 - 1094
[45] EVALUATION OF ONE-CENTRE COULOMB INTEGRALS IN SEMI-EMPIRICAL MOLECULAR ORBITAL THEORY
BOYD, RJ
WHITEHEA.MA
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1970, (15): : 2469 - &
[46] SEMI-EMPIRICAL MOLECULAR ORBITAL COMPUTATIONS .7. ELECTRONIC STRUCTURE OF VANADYL PENTAHYDRATE
VANQUICKENBORNE, LG
MCGLYNN, SP
THEORETICA CHIMICA ACTA, 1968, 9 (05): : 390 - +
[47] SEMI-EMPIRICAL MOLECULAR ORBITAL ENERGY LEVELS OF HEXAMMINE AND CHLOROAMMINE COMPLEXES OF CO(4)
YERANOS, WA
HASMAN, DA
ZEITSCHRIFT FUR NATURFORSCHUNG PART A-ASTROPHYSIK PHYSIK UND PHYSIKALISCHE CHEMIE, 1967, A 22 (02): : 170 - &
[48] A semi-empirical molecular orbital study of freestanding and fullerene-encapsulated Mo nanoclusters
Elliott, James A.
Shibuta, Yasushi
MOLECULAR SIMULATION, 2008, 34 (10-15) : 891 - 903
[49] CALCULATION OF THE STATE ENERGIES OF BENZALDEHYDE .1. SEMI-EMPIRICAL MOLECULAR ORBITAL METHOD
INUZUKA, K
YOKOTA, T
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1964, 37 (08) : 1224 - 1227
[50] CITATION CLASSIC - RAPID GEOMETRY OPTIMIZATION FOR SEMI-EMPIRICAL MOLECULAR-ORBITAL METHODS
MCIVER, JW
CURRENT CONTENTS/PHYSICAL CHEMICAL & EARTH SCIENCES, 1988, (15): : 16 - 16

← 1 2 3 4 5 →