SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS OF ANISOTROPIC H-1-C-13 AND F-19 HYPERFINE COUPLING-CONSTANTS IN HYDROCARBON AND FLUOROCARBON RADICALS

被引：8

作者：

BARFIELD, M ^{[1
]}

BABAQI, AS ^{[1
]}

DODDRELL, DM ^{[1
]}

GOTTLIEB, HPW ^{[1
]}

机构：

[1] GRIFFITH UNIV,SCH SCI,NATHAN,QLD 4111,AUSTRALIA

来源：

MOLECULAR PHYSICS | 1981年 / 42卷 / 01期

关键词：

D O I：

10.1080/00268978100100131

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：153 / 164

页数：12

共 26 条

[1] CALCULATIONS OF DEUTERIUM QUADRUPOLE COUPLING-CONSTANTS EMPLOYING SEMI-EMPIRICAL MOLECULAR-ORBITAL THEORY
BARFIELD, M
GOTTLIEB, HPW
DODDRELL, DM
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10): : 4504 - 4515
[2] MOLECULAR-ORBITAL STUDIES OF HYPERFINE COUPLING-CONSTANTS IN THE H2CN AND H(HO)CN RADICALS
CHIPMAN, DM
CARMICHAEL, I
FELLER, D
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (12): : 4702 - 4708
[3] LONG-RANGE H-1, F-19 AND C-13, F-19 COUPLING-CONSTANTS AND MOLECULAR-ORBITAL COMPUTATIONS AS INDICATORS OF INTERNAL MOTION IN C6H5OCF3 AND ITS 4-FLUORO DERIVATIVE
SCHAEFER, T
PENNER, GH
SEBASTIAN, R
PEELING, J
BEAULIEU, C
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1991, 69 (07): : 1047 - 1053
[4] INDO MOLECULAR-ORBITAL CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS OVER THREE BONDS BETWEEN C-13 AND H-1 IN SOME SIMPLE MOLECULES
WASYLISH.R
SCHAEFER, T
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1973, 51 (06): : 961 - 973
[5] APPLICATION OF SEMI-EMPIRICAL CALCULATIONS OF C-13 CHEMICAL-SHIFTS AND 1J(CH) COUPLING-CONSTANTS TO THE ANALYSIS OF CARBONIUM-ION STRUCTURES
CHEREMISIN, AA
SCHASTNEV, PV
ORGANIC MAGNETIC RESONANCE, 1980, 14 (05): : 327 - 336
[6] SIGNS OF F-19-H-1 AND F-19-C-13 SPIN SPIN COUPLING-CONSTANTS MAINLY TRANSMITTED THROUGH SPACE
RAE, ID
WEIGOLD, JA
CONTRERAS, RH
YAMAMOTO, G
MAGNETIC RESONANCE IN CHEMISTRY, 1992, 30 (11) : 1047 - 1050
[7] N-SUBSTITUTED INDOLES - H-1 AND C-13 NMR-STUDIES AND INDO MOLECULAR-ORBITAL CALCULATIONS OF THE ELECTRONIC-STRUCTURES AND DIRECTLY BONDED CARBON-13-PROTON COUPLING-CONSTANTS
PACHTER, R
WOUDENBERG, M
EROTOCRITOU, D
WESSELS, PL
SOUTH AFRICAN JOURNAL OF CHEMISTRY, 1987, 40 (03) : 172 - 178
[8] PROTON, C-13 AND F-19 NMR-STUDIES OF N-ALKYL-8-FLUOROQUINOLINIUM HALIDES - RELATIVE SIGNS OF THROUGH-SPACE H-1-F-19 AND C-13-F-19 COUPLING-CONSTANTS
BARFIELD, M
WALTER, SR
CLARK, KA
GRIBBLE, GW
HADEN, KW
KELLY, WJ
LEHOULLIER, CS
ORGANIC MAGNETIC RESONANCE, 1982, 20 (02): : 92 - 101
[9] INVESTIGATION OF SIGMA AND PI CONTRIBUTIONS TO LONG-RANGE H-1-H-1 COUPLING-CONSTANTS IN PLANAR AROMATIC DERIVATIVES USING CNDO AND INDO MOLECULAR-ORBITAL CALCULATIONS
PEAT, IR
REYNOLDS, WF
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1974, 52 (13): : 2403 - 2408
[10] INVESTIGATION INTO SIGMA AND PI CONTRIBUTIONS TO LONG-RANGE H-1-H-1 COUPLING-CONSTANTS IN CONJUGATED DIENES AND DIYNES USING CNDO AND INDO MOLECULAR-ORBITAL CALCULATIONS
PEAT, IR
REYNOLDS, WF
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1973, 51 (17): : 2968 - 2974

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