DIPOLE-MOMENT AND HYPERFINE CONSTANTS OF OD A-2-SIGMA+ FROM AB-INITIO CALCULATIONS

被引：10

作者：

GREEN, S ^{[1
]}

机构：

[1] GODDARD INST SPACE STUDIES,NEW YORK,NY 10025

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 58卷 / 10期

关键词：

D O I：

10.1063/1.1678989

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：4327 / 4330

页数：4

共 50 条

[1] AB-INITIO CALCULATION OF DIPOLE-MOMENT OF CYANAMIDE
ATTANASIO, A
HA, TK
GUNTHARD, HH
[J]. MOLECULAR PHYSICS, 1972, 24 (01) : 215 - +
[2] AB-INITIO SCF CALCULATION OF FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES IN METHANOL
HA, TK
MEYER, R
GUNTHARD, HH
[J]. CHEMICAL PHYSICS LETTERS, 1973, 22 (01) : 68 - 70
[3] ANALYTICAL AB-INITIO COMPUTATION OF FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES - LIH, LI2 AND BH
YDE, PB
SWANSTROM, P
THOMSEN, K
[J]. MOLECULAR PHYSICS, 1972, 23 (04) : 691 - +
[4] INFRARED TRANSITION INTENSITIES FOR WATER - A COMPARISON OF AB-INITIO AND FITTED DIPOLE-MOMENT SURFACES
LYNASGRAY, AE
MILLER, S
TENNYSON, J
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1995, 169 (02) : 458 - 467
[5] AB-INITIO STUDY OF THE RELATIONSHIP BETWEEN THE PRESSURE AND THE CHANGE IN THE DIPOLE-MOMENT OF A MOLECULE IN A FERROELECTRIC CRYSTAL
KUBOTA, H
AOKI, Y
IMAMURA, A
[J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1994, 67 (01) : 13 - 20
[6] DIPOLE-MOMENT FUNCTIONS OF NH AND NH+ BY AB-INITIO EFFECTIVE VALENCE SHELL HAMILTONIAN
PARK, JK
SUN, HS
[J]. CHEMICAL PHYSICS LETTERS, 1993, 211 (06) : 618 - 624
[7] AB-INITIO CALCULATION OF DIPOLE-MOMENT FUNCTIONS - APPLICATION TO VIBRATIONAL BAND INTENSITIES OF H2O
KJAERGAARD, HG
HENRY, BR
[J]. MOLECULAR PHYSICS, 1994, 83 (06) : 1099 - 1116
[8] COMPARISON OF AB-INITIO, CNDO-2 AND EXPERIMENTAL DIPOLE-MOMENT DERIVATIVES FOR C2 HYDROCARBONS AND FORMALDEHYDE
JALSOVSZKY, G
PULAY, P
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1975, 26 (02) : 277 - 287
[9] AB-INITIO COMPUTATION OF FORCE CONSTANTS .2. ESTIMATION OF DISSOCIATION-ENERGIES FROM AB-INITIO SCF CALCULATIONS
SCHLEGEL, HB
WOLFE, S
BERNARDI, F
[J]. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1975, 53 (23): : 3599 - 3601
[10] Ab initio UHF calculations of hyperfine coupling constants
Claxton, T. A.
McWilliams, D.
Smith, N. A.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 4 (08) : 505 - 506

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