ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .3. RELIABILITY AND TRANSFERABILITY OF PAIR POTENTIALS

被引：73

作者：

BOLIS, G

CLEMENTI, E

机构：

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

[2] UNIV MILANO,FAC FIS,I-20100 MILAN,ITALY

来源：

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

关键词：

D O I：

10.1021/ja00459a003

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：5550 / 5557

页数：8

共 22 条

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CLEMENTI, E ;

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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (17) :5531-5545

[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] COMPUTATION OF LARGE MOLECULES WITH HARTREE-FOCK MODEL [J].

CLEMENTI, E .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1972, 69 (10) :2942-&

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

CLEMENTI, E .

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

[5] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION [J].

CLEMENTI, E ;

POPKIE, H .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) :1077-&

[6]

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[8]

CLEMENTI E, 1975, IBMOL V PROGRAMS SYS

[9]

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