CONFIGURATION INTERACTION WAVEFUNCTIONS AND COMPUTED INVERSION BARRIERS FOR NH3 AND CH3-

被引：44

作者：

KARI, RE

CSIZMADIA, IG

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1972年 / 56卷 / 09期

关键词：

D O I：

10.1063/1.1677869

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：

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页码：4337 / +

页数：1

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[1] COON J, 1968, J MOL SPECTROSC, V20, P1205
[2] GF CALCULATION WITH MINIMAL AND EXTENDED BASIS SETS FOR H2O NH3 CH4 AND H2O2
FRANCHIN.PF
VERGANI, C
[J]. THEORETICA CHIMICA ACTA, 1969, 13 (01): : 46 - &
[3] Franchini P. F., 1970, International Journal of Quantum Chemistry, V4, P487, DOI 10.1002/qua.560040504
[4] Herzberg G., 1966, ELECT SPECTRA ELECT
[5] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .2.
HUZINAGA, S
SAKAI, Y
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) : 1371 - &
[6] POTENTIAL-ENERGY SURFACES OF CH3+ AND CH3-
KARI, RE
CSIZMADIA, IG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) : 1443 - +
[7] NEAR-MOLECULAR HARTREE-FOCK WAVEFUNCTION FOR CH3-
KARI, RE
CSIZMADIA, IG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (12) : 4585 - +
[8] NEAR-MOLECULAR HARTREE-FOCK WAVEFUNCTION FOR CH3+
KARI, RE
CSIZMADIA, IG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (05) : 1817 - +
[9] PHOTODISSOCIATION OF NH3 IN VACUUM ULTRAVIOLET
OKABE, H
LENZI, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (12) : 5241 - &
[10] Ab initio calculation of the inversion barrier in ammonia
Pipano, A.
Gilman, R. R.
Bender, C. F.
Shavitt, I.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 4 (09) : 583 - 584