MICROSCOPIC MODEL FOR CALCULATIONS OF CHEMICAL PROCESSES IN AQUEOUS-SOLUTIONS

被引:98
作者
WARSHEL, A
机构
关键词
D O I
10.1016/0009-2614(78)84013-5
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:454 / 458
页数:5
相关论文
共 18 条
[1]  
[Anonymous], [No title captured]
[2]   THEORETICAL STUDY OF SOLVENT EFFECTS ON CONFORMATIONAL STABILITY OF ACETYLCHOLINE [J].
BEVERIDGE, DL ;
KELLY, MM ;
RADNA, RJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (12) :3769-3778
[3]   VAN DER WAALS-LONDON INTERACTIONS BETWEEN STACKED PURINES AND PYRIMIDINES [J].
CLAVERIE, P ;
PULLMAN, B ;
CAILLET, J .
JOURNAL OF THEORETICAL BIOLOGY, 1966, 12 (03) :419-&
[4]   ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .1. WATER WITH AMINO-ACIDS [J].
CLEMENTI, E ;
CAVALLONE, F ;
SCORDAMAGLIA, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (17) :5531-5545
[5]   SOLVENT EFFECTS ON CIS-TRANS AZOBENZENE ISOMERIZATION - A DETAILED APPLICATION OF A THEORY OF SOLVENT EFFECTS ON MOLECULAR ASSOCIATION [J].
HALICIOGLU, T ;
SINANOGL.O .
ANNALS OF THE NEW YORK ACADEMY OF SCIENCES, 1969, 158 (A1) :308-+
[6]   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-+
[7]  
HYLTON J, 1974, CHEM PHYS LETT, V24, P501, DOI 10.1016/0009-2614(74)80164-8
[8]  
JORGENSEN WL, UNPUBLISHED
[9]   The electrostatic influence of substituents on the dissociation constants of organic acids. I. [J].
Kirkwood, JG ;
Westheimer, FH .
JOURNAL OF CHEMICAL PHYSICS, 1938, 6 (09) :506-512
[10]   HYDRATION OF NH4F [J].
KOLLMAN, P ;
KUNTZ, I .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (22) :6820-6825