CALCULATION OF INTERMOLECULAR POTENTIAL-ENERGY SURFACES .1. BASIC THEORY

被引：17
作者：
GERRATT, J [1 ]
机构：
[1] UNIV BRISTOL,DEPT THEORET CHEM,BRISTOL BS8 1TS,ENGLAND
来源：
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES | 1976年 / 350卷 / 1662期
关键词：
D O I：
10.1098/rspa.1976.0112
中图分类号：
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
引用
收藏
页码：363 / 380
页数：18
相关论文
共 50 条
[31]   INTERMOLECULAR POTENTIAL-ENERGY FUNCTIONS OF KRYPTON AND XENON [J].
GOUGH, DW ;
SMITH, EB ;
MAITLAND, GC .
MOLECULAR PHYSICS, 1973, 25 (06) :1433-1441
[32]   INTERMOLECULAR POTENTIAL-ENERGY FUNCTION FOR SIMPLE MOLECULES [J].
DYMOND, JH ;
RIGBY, M ;
SMITH, EB .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (08) :2801-&
[33]   INTERMOLECULAR POTENTIAL-ENERGY FUNCTION FOR LIQUID WATER [J].
GUHA, A ;
MONDAL, AK ;
SENGUPTA, R .
INDIAN JOURNAL OF PURE & APPLIED PHYSICS, 1991, 29 (08) :573-575
[34]   AN INTERMOLECULAR POTENTIAL-ENERGY SURFACE FOR (HF)2 [J].
BARTON, AE ;
HOWARD, BJ .
FARADAY DISCUSSIONS, 1982, 73 :45-62
[35]   PHOTODISSOCIATION OF CH2 .1. POTENTIAL-ENERGY SURFACES OF THE DISSOCIATION INTO CH AND H [J].
BEARDA, RA ;
VANHEMERT, MC ;
VANDISHOECK, EF .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (11) :8240-8249
[36]   A NEW FORM FOR INTERMOLECULAR POTENTIAL-ENERGY FUNCTIONS [J].
HONDA, K ;
KITAURA, K .
CHEMICAL PHYSICS LETTERS, 1987, 140 (01) :53-56
[37]   EMPIRICAL INTERMOLECULAR POTENTIAL-ENERGY FUNCTION FOR WATER [J].
SHIPMAN, LL ;
SCHERAGA, HA .
JOURNAL OF PHYSICAL CHEMISTRY, 1974, 78 (09) :909-916
[38]   THE INTERMOLECULAR POTENTIAL-ENERGY SURFACE OF AR . HCL [J].
HUTSON, JM ;
HOWARD, BJ .
MOLECULAR PHYSICS, 1981, 43 (03) :493-516
[39]   NEW APPROACH TO EMPIRICAL INTERMOLECULAR AND CONFORMATIONAL POTENTIAL-ENERGY FUNCTIONS .1. DESCRIPTION OF MODEL AND DERIVATION OF PARAMETERS [J].
SHIPMAN, LL ;
BURGESS, AW ;
SCHERAGA, HA .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1975, 72 (02) :543-547
[40]   A SEMI-EMPIRICAL METHOD FOR THE CALCULATION OF POTENTIAL-ENERGY SURFACES OF HN SYSTEMS [J].
TANAKA, N ;
NOMURA, O .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (03) :1373-1378
12345