MOLECULAR MECHANICS AND MOLECULAR SHAPE .5. ON THE COMPUTATION OF THE BARE SURFACE-AREA OF MOLECULES

被引:60
作者
MEYER, AY
机构
关键词
D O I
10.1002/jcc.540090104
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:18 / 24
页数:7
相关论文
共 23 条
[1]  
ABRAHAMS SC, 1949, ACTA CRYST, V2, P241
[2]   ANALYTICAL MOLECULAR-SURFACE CALCULATION [J].
CONNOLLY, ML .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1983, 16 (OCT) :548-558
[3]  
CONNOLLY ML, MS PROGRAM
[4]  
COULSON CA, 1969, VALENCE, P83
[5]  
DOSTROVSKY J, 1946, J CHEM SOC, V173, P178
[6]   REPRESENTATION OF ELECTRON-DENSITIES .1. SPHERE FITS TO TOTAL ELECTRON-DENSITY SURFACES [J].
FRANCL, MM ;
HOUT, RF ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (03) :563-570
[7]   MOLECULAR FREE-SURFACE - A NOVEL METHOD OF CALCULATION AND ITS USES IN CONFORMATIONAL STUDIES AND IN ORGANIC-CRYSTAL CHEMISTRY [J].
GAVEZZOTTI, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (04) :962-967
[8]   THE CALCULATION OF MOLECULAR VOLUMES AND THE USE OF VOLUME ANALYSIS IN THE INVESTIGATION OF STRUCTURED MEDIA AND OF SOLID-STATE ORGANIC-REACTIVITY [J].
GAVEZZOTTI, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (16) :5220-5225
[9]   SOME CHEMICAL AND STRUCTURAL CONSEQUENCES OF NON-BONDED INTERACTIONS [J].
GLIDEWELL, C .
INORGANICA CHIMICA ACTA, 1975, 12 (03) :219-227
[10]  
Hansch C, 1979, SUBSTITUENT CONSTANT