CALCULATION OF THE CHARGE-DISTRIBUTION IN CONJUGATED SYSTEMS BY A QUANTIFICATION OF THE RESONANCE CONCEPT

被引：125
作者：
GASTEIGER, J
SALLER, H
机构：
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1985年 / 24卷 / 08期
关键词：
D O I：
10.1002/anie.198506871
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：687 / 689
页数：3
相关论文
共 19 条
[1]  
GASTEIGER J, 1982, CHIM IND-MILAN, V64, P714
[2]   PREDICTION OF PROTON MAGNETIC-RESONANCE SHIFTS - THE DEPENDENCE ON HYDROGEN CHARGES OBTAINED BY ITERATIVE PARTIAL EQUALIZATION OF ORBITAL ELECTRONEGATIVITY [J].
GASTEIGER, J ;
MARSILI, M .
ORGANIC MAGNETIC RESONANCE, 1981, 15 (04) :353-360
[3]  
GASTEIGER J, 1983, J CHEM RES-S, P304
[4]   ITERATIVE PARTIAL EQUALIZATION OF ORBITAL ELECTRONEGATIVITY - A RAPID ACCESS TO ATOMIC CHARGES [J].
GASTEIGER, J ;
MARSILI, M .
TETRAHEDRON, 1980, 36 (22) :3219-3228
[5]   QUANTIFICATION OF EFFECTIVE POLARIZABILITY - APPLICATIONS TO STUDIES OF X-RAY PHOTOELECTRON-SPECTROSCOPY AND ALKYLAMINE PROTONATION [J].
GASTEIGER, J ;
HUTCHINGS, MG .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1984, (03) :559-564
[6]  
GASTEIGER J, 1983, J CHEM RES M, P2611
[7]  
Gasteiger J., 1978, TOP CURR CHEM, V74, P93, DOI DOI 10.1007/BFB0050147
[8]   EXTENSION OF THE METHOD OF ITERATIVE PARTIAL EQUALIZATION OF ORBITAL ELECTRONEGATIVITY TO SMALL RING-SYSTEMS [J].
GUILLEN, MD ;
GASTEIGER, J .
TETRAHEDRON, 1983, 39 (08) :1331-1335
[9]   ELECTRONEGATIVITY .2. BOND AND ORBITAL ELECTRONEGATIVITIES [J].
HINZE, J ;
WHITEHEAD, MA ;
JAFFE, HH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (02) :148-&
[10]   ELECTRONEGATIVITY .1. ORBITAL ELECTRONEGATIVITY OF NEUTRAL ATOMS [J].
HINZE, J ;
JAFFE, HH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (04) :540-&
12