THE HYPERFINE COUPLING-CONSTANTS OF THE X3-SIGMA- STATES OF NH INFLUENCE OF POLARIZATION FUNCTIONS AND CONFIGURATION SPACE ON THE DESCRIPTION OF SPIN POLARIZATION

被引：44

作者：

ENGELS, B

PEYERIMHOFF, SD

机构：

来源：

MOLECULAR PHYSICS | 1989年 / 67卷 / 03期

关键词：

D O I：

10.1080/00268978900101301

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：583 / 600

页数：18

共 12 条

[1] THE SPIN POLARIZATION MODEL FOR HYPERFINE COUPLING-CONSTANTS
CHIPMAN, DM
THEORETICA CHIMICA ACTA, 1992, 82 (1-2): : 93 - 115
[2] CALCULATION OF HYPERFINE COUPLING-CONSTANTS OF THE GROUND-STATE X3-SIGMA OF NH AND B2
FERNANDEZ, B
JORGENSEN, P
MCCULLOUGH, EA
SIMONS, J
JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (08): : 5995 - 6003
[3] TEMPERATURE-DEPENDENT HYPERFINE COUPLING-CONSTANTS IN ELECTRON-SPIN RESONANCE .2. PERTURBATION CALCULATION OF EFFECT OF ROTATION ON SPIN POLARIZATION CONTRIBUTION TO HYDROXYL PROTON COUPLING-CONSTANTS
BULLOCK, AT
JOURNAL OF MAGNETIC RESONANCE, 1974, 15 (03) : 580 - 583
[4] POLARIZATION PROPAGATOR ANALYSIS OF THE THROUGH-SPACE TRANSMISSION OF SPIN-SPIN COUPLING-CONSTANTS BY OVERLAP OF LONE PAIRS
GIRIBET, CG
DEAZUA, MCR
CONTRERAS, RH
DEBONCZOK, RL
AUCAR, GA
GOMEZ, S
JOURNAL OF MOLECULAR STRUCTURE, 1993, 300 : 467 - 477
[5] SPIN POLARIZATION IN RESTRICTED ELECTRONIC-STRUCTURE THEORY - MULTICONFIGURATION SELF-CONSISTENT-FIELD CALCULATIONS OF HYPERFINE COUPLING-CONSTANTS
FERNANDEZ, B
JORGENSEN, P
BYBERG, J
OLSEN, J
HELGAKER, T
JENSEN, HJA
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (05): : 3412 - 3419
[6] A POLARIZATION PROPAGATOR ANALYSIS OF THROUGH-SPACE SPIN-SPIN COUPLING-CONSTANTS - F-19-F-19 COUPLINGS
DEAZUA, MCR
DIZ, AC
GIRIBET, CG
CONTRERAS, RH
RAE, ID
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, : 585 - 601
[7] CALCULATION OF SPIN SPIN COUPLING-CONSTANTS WITH THE SELF-CONSISTENT POLARIZATION PROPAGATOR APPROXIMATION IN NON-SINGLET UNSTABLE WAVE-FUNCTIONS
SCUSERIA, GE
CONTRERAS, RH
CHEMICAL PHYSICS LETTERS, 1982, 93 (05) : 425 - 428
[8] ROVIBRATIONAL DEPENDENCE OF THE AB-INITIO NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS IN THE X(3)SIGMA- STATE OF NH
FISER, J
VOJTIK, J
CHEMICAL PHYSICS, 1994, 182 (2-3) : 217 - 223
[9] DETERMINATION OF ABSOLUTE SIGNS OF F-19 HYPERFINE COUPLING-CONSTANTS BY CHEMICALLY INDUCED DYNAMIC NUCLEAR SPIN POLARIZATION (CIDNP) IN FLUORINATED AROMATIC SYSTEMS
BRINKMAN, MR
BETHELL, D
HAYES, J
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (06): : 3431 - 3432
[10] MICROWAVE OPTICAL DOUBLE-RESONANCE SPECTRUM OF NH2 .3. H-1 AND N-14 HYPERFINE COUPLING-CONSTANTS AND SPIN ROTATION CONSTANTS IN X2B1
COOK, JM
HILLS, GW
CURL, RF
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (04): : 1450 - 1461

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