ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .1. WATER WITH AMINO-ACIDS

被引：277

作者：

CLEMENTI, E ^{[1
]}

CAVALLONE, F ^{[1
]}

SCORDAMAGLIA, R ^{[1
]}

机构：

[1] IST RIC G DONEGANI,SOC MONTEDISON,I-28100 NOVARA,ITALY

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1977年 / 99卷 / 17期

关键词：

D O I：

10.1021/ja00459a001

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：5531 / 5545

页数：15

共 43 条

[1] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .14. COORDINATION NUMBERS FOR SELECTED ION-PAIRS IN WATER [J].

CLEMENTI, E ;

BARSOTTI, R ;

FROMM, J ;

WATTS, RO .

THEORETICA CHIMICA ACTA, 1976, 43 (02) :101-120

[2] STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .15. COMMENTS ON MOLECULAR-ORBITAL VALENCY STATE AND ON MOLECULAR-ORBITAL ENERGIES [J].

CLEMENTI, E ;

ROUTH, A .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1972, 6 (03) :525-&

[3] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .I. MOLECULAR WAVEFUNCTIONS AND THEIR ANALYSIS [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :3842-&

[4] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .2. WAVEFUNCTIONS FOR NH3+HCL-]NH4CL REACTION [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :3851-&

[5]

CLEMENTI E, 1967, INT J QUANTUM CHEM, V15, P307

[6]

CLEMENTI E, IN PRESS

[7]

Clementi E., 1966, J COMPUT PHYS, V1, P223

[8]

CLEMENTI E, 1975, IBMOL V PROGRAMS SYS

[9]

CLEMENTI E, TO BE PUBLISHED

[10]

CLEMENTI E, 1971, IBMOL V PROGRAMS USE

← 1 2 3 4 5 →