INVERSION AT TRIVALENT NITROGEN - APPLICATION OF THE MNDO AND MINDO/3 SEMI-EMPIRICAL MOLECULAR-ORBITAL METHODS

被引：30

作者：

JENNINGS, WB ^{[1
]}

WORLEY, SD ^{[1
]}

机构：

[1] AUBURN UNIV, DEPT CHEM, AUBURN, AL 36830 USA

来源：

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1980年 / 10期

关键词：

D O I：

10.1039/p29800001512

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：1512 / 1515

页数：4

共 50 条

[31] SEMI-EMPIRICAL MOLECULAR ORBITAL STUDIES OF DIMETHYLGLYOXIME AND DIMETHYLGLYOXIMATE ANION
ROOS, B
ACTA CHEMICA SCANDINAVICA, 1965, 19 (07): : 1715 - &
[32] SEMI-EMPIRICAL MOLECULAR-ORBITAL INVESTIGATION OF THE INTERACTION BETWEEN N-2 MOLECULE AND BINUCLEAR MOLYBDENUM CLUSTERS
SHCHUKARIOV, AV
KOROLKOV, DV
VESTNIK LENINGRADSKOGO UNIVERSITETA SERIYA FIZIKA KHIMIYA, 1982, (03): : 40 - 47
[33] REACTIVITY OF METHYLAZOXYMETHANOL AND ITS METABOLITES WITH NUCLEOPHILIC CENTERS OF DNA BASES - A SEMI-EMPIRICAL NDDO MOLECULAR-ORBITAL STUDY
KIKUCHI, O
KARASAWA, Y
SUZUKI, K
HOPFINGER, AJ
CANCER BIOCHEMISTRY BIOPHYSICS, 1982, 6 (02): : 75 - 82
[34] USE OF SEMI-EMPIRICAL MOLECULAR-ORBITAL THEORY FOR STUDY OF ELECTRONIC-STRUCTURES OF TRANSITION-METAL COMPLEXES
FENSKE, RF
PURE AND APPLIED CHEMISTRY, 1988, 60 (08) : 1153 - 1162
[35] NITROGEN INVERSION BARRIERS IN 3-MEMBERED RINGS - AN ABINITIO MOLECULAR-ORBITAL STUDY
ALCAMI, M
DEPAZ, JLG
YANEZ, M
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1989, 10 (04) : 468 - 478
[36] A MOLECULAR-ORBITAL STUDY OF NITROGEN INVERSION IN ANILINE WITH EXTENSIVE GEOMETRY OPTIMIZATION
BOCK, CW
GEORGE, P
TRACHTMAN, M
THEORETICA CHIMICA ACTA, 1986, 69 (03): : 235 - 245
[37] PREDICTION OF CHEMICAL CARCINOGENICITY FROM MOLECULAR AND ELECTRONIC-STRUCTURES - A COMPARISON OF MINDO/3 AND CNDO/2 MOLECULAR-ORBITAL METHODS
LEWIS, DFV
IOANNIDES, C
PARKE, DV
TOXICOLOGY LETTERS, 1989, 45 (01) : 1 - 13
[38] Quantitative structure-cytotoxicity relationship analysis of betulinic acid and its derivatives by semi-empirical molecular-orbital method
Ishihara, M
Sakagami, H
Liu, WK
ANTICANCER RESEARCH, 2005, 25 (6B) : 3951 - 3955
[39] A semi-empirical Huckel molecular orbital analysis of internucleotide phosphorothioate diesters
Weltman, JK
Karim, AS
ANTICANCER RESEARCH, 1998, 18 (4A) : 2733 - 2735
[40] SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS OF CU(2) CHLORIDE SPECTRA
SCHLUETE.AW
MCQUIRTE.W
JACOBSON, RA
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1969, (APR): : I163 - &

← 1 2 3 4 5 →