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

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1974年 / 78卷 / 18期

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
AHMED, NA
KITAIGORODSKY, AI
[J]. 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
BONDI, A
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1964, 68 (03) : 441 - +
[4] A SIMPLE MO-LCAO METHOD FOR THE CALCULATION OF CHARGE DISTRIBUTIONS IN SATURATED ORGANIC MOLECULES
DELRE, G
[J]. 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
HELPINSTILL, JG
VANWINKL.M
[J]. 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
HURON, MJ
CLAVERIE, P
[J]. 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
HURON, MJ
CLAVERIE, P
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1972, 76 (15) : 2123 - +
[10] KITAIGORODSKII AI, 1970, SOV PHYS CRYSTALLOGR, V14, P769