DISSOCIATION POTENTIAL FOR BREAKING A C-H BOND IN METHANE

被引：63

作者：

BROWN, FB

TRUHLAR, DG

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1985年 / 113卷 / 05期

关键词：

D O I：

10.1016/0009-2614(85)80077-4

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

页码：441 / 446

页数：6

共 30 条

[1] MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].

BARTLETT, RJ .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401

[2] MOLECULAR APPLICATIONS OF COUPLED CLUSTER AND MANY-BODY PERTURBATION-METHODS [J].

BARTLETT, RJ ;

PURVIS, GD .

PHYSICA SCRIPTA, 1980, 21 (3-4) :255-265

[3] THE GROUND-STATE POTENTIAL CURVE FOR F2 [J].

BLOMBERG, MRA ;

SIEGBAHN, PEM .

CHEMICAL PHYSICS LETTERS, 1981, 81 (01) :4-13

[4] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].

BUENKER, RJ ;

PEYERIMH.SD .

THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58

[5]

CLARK T, 1984, UNPUB J CHEM PHYS, V80

[6]

DAS G, 1966, J CHEM PHYS, V44, P3050

[7] ANALYTIC-FUNCTION FOR THE H + CH3 REVERSIBLE CH4 POTENTIAL-ENERGY SURFACE [J].

DUCHOVIC, RJ ;

HASE, WL ;

SCHLEGEL, HB .

JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (07) :1339-1347

[8] ABINITIO POTENTIAL-ENERGY CURVE FOR CH BOND-DISSOCIATION IN METHANE [J].

DUCHOVIC, RJ ;

HASE, WL ;

SCHLEGEL, HB ;

FRISCH, MJ ;

RAGHAVACHARI, K .

CHEMICAL PHYSICS LETTERS, 1982, 89 (02) :120-125

[9] LOW-LYING STATES OF HYDROGEN-FLUORIDE - POTENTIAL-ENERGY CURVES FOR X1SIGMA+, 3SIGMA+, 3-PI AND 1-PI STATES [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (10) :3854-3862

[10] EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS [J].

DUPUIS, M ;

RYS, J ;

KING, HF .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) :111-116

← 1 2 3 →