CALCULATION OF INTERACTION ENERGY OF ONE MOLECULE WITH ITS WHOLE SURROUNDING .3. APPLICATION TO PURE POLAR COMPOUNDS

被引:78
作者
HURON, MJ
CLAVERIE, P
机构
[1] INST FRANCAIS PETR,92502 RUEIL-MALMAISON,FRANCE
[2] INST BIOL PHYS CHIM,LAB CHIM QUANTIQUE,75005 PARIS,FRANCE
关键词
D O I
10.1021/j100611a019
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
收藏
页码:1862 / 1867
页数:6
相关论文
共 18 条
[1]   EXPERIMENTAL AND THEORETICAL DETERMINATION OF CRYSTAL-STRUCTURE OF 3,6-DIPHENYL-S-TETRAZINE [J].
AHMED, NA ;
KITAIGORODSKY, AI .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1972, B 28 (MAR15) :739-+
[2]  
BJERRUM N, 1927, T FARADAY SOC, V23, P445
[3]   VAN DER WAALS VOLUMES + RADII [J].
BONDI, A .
JOURNAL OF PHYSICAL CHEMISTRY, 1964, 68 (03) :441-+
[4]   A SIMPLE MO-LCAO METHOD FOR THE CALCULATION OF CHARGE DISTRIBUTIONS IN SATURATED ORGANIC MOLECULES [J].
DELRE, G .
JOURNAL OF THE CHEMICAL SOCIETY, 1958, (NOV) :4031-4040
[5]  
EISENBERG D, 1969, STRUCTURE PROPERTIES, pCH1
[6]  
FOWLER RH, 1966, STATISTICAL MECHANIC
[7]   PREDICTION OF INFINITE DILUTION ACTIVITY COEFFICIENTS FOR POLAR-POLAR BINARY SYSTEMS [J].
HELPINSTILL, JG ;
VANWINKL.M .
INDUSTRIAL & ENGINEERING CHEMISTRY PROCESS DESIGN AND DEVELOPMENT, 1968, 7 (02) :213-+
[8]   CALCULATION OF INTERACTION ENERGY OF ONE MOLECULE WITH ITS WHOLE SURROUNDING .2. METHOD OF CALCULATING ELECTROSTATIC ENERGY [J].
HURON, MJ ;
CLAVERIE, P .
JOURNAL OF PHYSICAL CHEMISTRY, 1974, 78 (18) :1853-1861
[9]   CALCULATION OF INTERACTION ENERGY OF ONE MOLECULE WITH ITS WHOLE SURROUNDING .1. METHOD AND APPLICATION TO PURE NONPOLAR COMPOUNDS [J].
HURON, MJ ;
CLAVERIE, P .
JOURNAL OF PHYSICAL CHEMISTRY, 1972, 76 (15) :2123-+
[10]  
KITAIGORODSKII AI, 1970, SOV PHYS CRYSTALLOGR, V14, P769