C-H ACIDITY - COMPARATIVE CNDO-2 AND NDDO CALCULATIONS ON REACTIVITY OF AZABENZENES

被引：60

作者：

BIRNER, P ^{[1
]}

KOHLER, HJ ^{[1
]}

WEISS, C ^{[1
]}

机构：

[1] KARL MARX UNIV, SEKT CHEM, ARBEITS GRP QUANTEN CHEM, LEIPZIG, GERMANY

来源：

CHEMICAL PHYSICS LETTERS | 1974年 / 27卷 / 03期

关键词：

D O I：

10.1016/0009-2614(74)85236-X

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

页码：347 / 350

页数：4

共 17 条

[1] HETARYNE INTERMEDIATES [J].

ADAM, W ;

GRIMISON, A ;

HOFFMANN, R .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (10) :2590-&

[2]

ADAM W, 1970, QUANTUM ASPECTS HETE, P118

[3]

BIRNER P, 1973, Z CHEM, V13, P354

[4]

BIRNER P, 1971, Z CHEM, V11, P117

[5]

BIRNER P, 1972, THESIS K MARX U

[6] SEMI-EMPIRICAL ALL-VALENCE-ELECTRON SCF CALCULATIONS OF ACIDITIES OF CYCLOALKANES [J].

JESAITIS, RG ;

STREITWI.A .

THEORETICA CHIMICA ACTA, 1970, 17 (03) :165-&

[7]

KOHLER HJ, 1972, Z CHEM, V12, P196

[8]

KOHLER HJ, 1973, Z CHEM, V13, P157

[9] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES [J].

POPLE, JA ;

SANTRY, DP ;

SEGAL, GA .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S129-+

[10] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP [J].

POPLE, JA ;

SEGAL, GA .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S136-+

← 1 2 →