GEOMETRY OF MOLECULES .3. ITERATIVE MAXIMUM OVERLAP CALCULATIONS OF BOND LENGTHS IN SOME CONJUGATED POLYENES AND THEIR ALKYLATED DERIVATIVES

被引:67
作者
MAKSIC, ZB
RUBCIC, A
机构
[1] RUDJER BOSKOVIC INST, THEORET CHEM GRP, YU-41001 Zagreb, YUGOSLAVIA
[2] FAC SCI & MATH ZAGREB, Z-41000 Zagreb, YUGOSLAVIA
关键词
D O I
10.1021/ja00455a004
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:4233 / 4241
页数:9
相关论文
共 64 条
[1]   MICROWAVE-SPECTRUM AND STRUCTURE OF FULVENE [J].
BARON, PA ;
BURDEN, FR ;
BROWN, RD ;
KENT, JE ;
DOMAILLE, PJ .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1972, 43 (03) :401-&
[2]   ON INFERENCES OF BOND CHARACTER FROM BOND LENGTH - IMPORTANT ROLE OF NONBONDED INTERACTIONS [J].
BARTELL, LS .
TETRAHEDRON, 1962, 17 (3-4) :177-&
[3]   HOW QUANTITATIVE IS CONCEPT OF MAXIMUM OVERLAP [J].
BARTLETT, RJ ;
OHRN, Y .
THEORETICA CHIMICA ACTA, 1971, 21 (03) :215-+
[4]   GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS [J].
BINGHAM, RC ;
DEWAR, MJS ;
LO, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1294-1301
[5]  
BLOOR JE, 1959, NATURE, V184, P131
[6]   ATOM HYBRIDIZATION AND BOND PROPERTIES - SOME CARBON-CONTAINING BONDS [J].
BROWN, MG .
TRANSACTIONS OF THE FARADAY SOCIETY, 1959, 55 (05) :694-701
[7]   AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].
CLEMENTI, E .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&
[8]   APPROXIMATE AB INITIO CALCULATIONS ON POLYATOMIC MOLECULES [J].
COOK, DB ;
HOLLIS, PC ;
MCWEENY, R .
MOLECULAR PHYSICS, 1967, 13 (06) :553-&
[9]   MICROWAVE SPECTRUM, MOLECULAR STRUCTURE OF VINYL CYANIDE AND A SUMMARY OF CC, CH BOND LENGTHS IN SIMPLE MOLECULES [J].
COSTAIN, CC ;
STOICHEFF, BP .
JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (03) :777-782
[10]  
Coulson C. A., 1939, P ROY SOC LOND A MAT, VA169, P413, DOI [DOI 10.1098/RSPA.1939.0006, 10.1098/rspa.1939.0006]