THE LOWEST SINGLET POTENTIAL SURFACE OF CH2O

被引：91

作者：

FRISCH, MJ ^{[1
]}

KRISHNAN, R ^{[1
]}

POPLE, JA ^{[1
]}

机构：

[1] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1981年 / 85卷 / 11期

关键词：

D O I：

10.1021/j150611a003

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

收藏

页码：1467 / 1468

页数：2

相关论文

共 10 条

[1] ADAMS GS, UNPUBLISHED
[2] PHOTOCHEMISTRY OF FORMALDEHYDE - ABSOLUTE QUANTUM YIELDS, RADICAL REACTIONS, AND NO REACTIONS
CLARK, JH
MOORE, CB
NOGAR, NS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (03) : 1264 - 1271
[3] Davidson E.R., 1974, WORLD QUANTUM CHEM
[4] PHOTO-DISSOCIATION OF FORMALDEHYDE - POTENTIAL-ENERGY SURFACE-FEATURES
GODDARD, JD
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (11) : 5117 - 5134
[5] GODDARD JD, J CHEM PHYS
[6] MOLLER-PLESSET STUDY OF THE H4CO POTENTIAL-ENERGY SURFACE
HARDING, LB
SCHLEGEL, HB
KRISHNAN, R
POPLE, JA
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (25) : 3394 - 3401
[7] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES
HARIHARA.PC
POPLE, JA
[J]. THEORETICA CHIMICA ACTA, 1973, 28 (03): : 213 - 222
[8] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS
KRISHNAN, R
BINKLEY, JS
SEEGER, R
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) : 650 - 654
[9] CONTRIBUTION OF TRIPLE SUBSTITUTIONS TO THE ELECTRON CORRELATION-ENERGY IN 4TH ORDER PERTURBATION-THEORY
KRISHNAN, R
FRISCH, MJ
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (07) : 4244 - 4245
[10] KRISHNAN R, CHEM PHYS LETT