MULTIPLE-SCATTERING MASS OPERATOR METHOD FOR MOLECULAR-ORBITAL CALCULATIONS

被引：2

|

作者：

PAVAO, AC ^{[1
]}

BRAGA, M ^{[1
]}

FAZZIO, A ^{[1
]}

LEITE, JR ^{[1
]}

机构：

[1] UNIV SAO PAULO,INST FIS,SAO PAULO,BRAZIL

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1980年 / 18卷 / 05期

关键词：

D O I：

10.1002/qua.560180505

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：

引用

收藏

页码：1165 / 1173

页数：9

相关论文

共 50 条

[1] ATOMIC CHARGES IN MULTIPLE-SCATTERING MOLECULAR-ORBITAL METHOD
LARSSON, S
THEORETICA CHIMICA ACTA, 1978, 49 (01): : 45 - 53
[2] FAKE MOLECULAR-ORBITAL CALCULATIONS
HARRIS, FE
TRAUTWEIN, A
DELHALLE, J
CHEMICAL PHYSICS LETTERS, 1980, 72 (02) : 315 - 318
[3] MOLECULAR-ORBITAL CALCULATIONS ON CIRCUMANTHRACENE
PAUNCZ, R
JOURNAL OF THE CHEMICAL SOCIETY, 1957, (SEP): : 4136 - 4137
[4] MOLECULAR-ORBITAL CALCULATIONS ON ANTHRONE
SCHAEFER, T
SEBASTIAN, R
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1988, 49 : 319 - 323
[5] MOLECULAR-ORBITAL CALCULATIONS ON AMINOCYANOETHYLENES
SCHAFFER, AM
BECKER, RS
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1973, : 100 - &
[6] APPROXIMATE MOLECULAR-ORBITAL CALCULATIONS
FITZPATRICK, NJ
JOURNAL OF CHEMICAL EDUCATION, 1972, 49 (05) : 344 - +
[7] MOLECULAR-ORBITAL CALCULATIONS ON PHENOLS
TINLAND, B
RESEARCH COMMUNICATIONS IN CHEMICAL PATHOLOGY AND PHARMACOLOGY, 1973, 6 (02): : 769 - 770
[8] ELECTRONIC-STRUCTURE AND RELATED PROPERTIES OF METALLOCENES - MULTIPLE-SCATTERING X-ALPHA MOLECULAR-ORBITAL STUDY
WEBER, J
GOURSOT, A
PENIGAULT, E
JOURNAL OF MOLECULAR STRUCTURE, 1980, 60 (JAN) : 397 - 400
[9] MOLECULAR-ORBITAL CALCULATIONS USING THE SIMPLE HUCKEL-METHOD
REEDER, JH
JOURNAL OF CHEMICAL EDUCATION, 1987, 64 (06) : 499 - 499
[10] MOLECULAR-ORBITAL CALCULATIONS FOR THE HCL CRYSTAL
LATAJKA, Z
RATAJCZAK, H
CHEMICAL PHYSICS LETTERS, 1979, 66 (02) : 262 - 264

← 1 2 3 4 5 →