HOW WELL CAN RMP4 THEORY TREAT HOMOLYTIC FRAGMENTATIONS

被引：23

作者：

GILL, PMW

WONG, MW

NOBES, RH

RADOM, L

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1988年 / 148卷 / 06期

关键词：

D O I：

10.1016/0009-2614(88)80328-2

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：541 / 549

页数：9

共 17 条

[1] AN ALGORITHM FOR THE LOCATION OF TRANSITION-STATES [J].

BAKER, J .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (04) :385-395

[2]

FRISCH MJ, 1984, GAUSSIAN 86

[3] DECEPTIVE CONVERGENCE IN MOLLER-PLESSET PERTURBATION ENERGIES [J].

GILL, PMW ;

RADOM, L .

CHEMICAL PHYSICS LETTERS, 1986, 132 (01) :16-22

[4]

GILL PMW, UNPUB J AM CHEM SOC

[5] ON THE CONVERGENCE OF THE MOLLER-PLESSET PERTURBATION-SERIES [J].

HANDY, NC ;

KNOWLES, PJ ;

SOMASUNDRAM, K .

THEORETICA CHIMICA ACTA, 1985, 68 (01) :87-100

[6] FULL CI CALCULATIONS ON BH, H2O, NH3 AND HF [J].

HARRISON, RJ ;

HANDY, NC .

CHEMICAL PHYSICS LETTERS, 1983, 95 (4-5) :386-391

[7]

Hehre WJ., 1986, Ab Initio Molecular Orbital Theory

[8] THE CALCULATION OF HIGHER-ORDER ENERGIES IN THE MANY-BODY PERTURBATION-THEORY SERIES [J].

KNOWLES, PJ ;

SOMASUNDRAM, K ;

HANDY, NC ;

HIRAO, K .

CHEMICAL PHYSICS LETTERS, 1985, 113 (01) :8-12

[9] CONTRIBUTION OF TRIPLE SUBSTITUTIONS TO THE ELECTRON CORRELATION-ENERGY IN 4TH ORDER PERTURBATION-THEORY [J].

KRISHNAN, R ;

FRISCH, MJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (07) :4244-4245

[10] CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE [J].

LANGHOFF, SR ;

DAVIDSON, ER .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (01) :61-72

← 1 2 →