INVESTIGATION OF SELF-CONSISTENT FIELD PERTURBATION-THEORY APPLIED TO CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS

被引:87
作者
GUEST, MF
SAUNDERS, VR
OVERILL, RE
机构
[1] RUTHERFORD HIGH ENERGY LAB,DIV ATLAS COMP,DIDCOT OX11 0QX,OXFORDSHIRE,ENGLAND
[2] UNIV LONDON,KINGS COLL,COMP UNIT,LONDON WC2R 2LS,ENGLAND
关键词
D O I
10.1080/00268977800100321
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:427 / 443
页数:17
相关论文
共 60 条
[1]   CONVERGENCE OF PERTURBATION THEORY EXPANSION FOR SPIN-SPIN COUPLING CONSTANTS [J].
ADAM, W ;
GRIMISON, A ;
SPRANGLE, PA .
THEORETICA CHIMICA ACTA, 1970, 18 (04) :385-&
[2]   DOUBLE PERTURBATION CALCULATION OF JGEM NUCLEAR SPIN-SPIN COUPLING CONSTANT OF METHANE [J].
BARBIER, C ;
GAGNAIRE, D ;
BERTHIER, G ;
LEVY, B .
JOURNAL OF MAGNETIC RESONANCE, 1971, 5 (01) :11-&
[3]   COUPLING OF GEMINAL PROTONS IN NUCLEAR MAGNETIC-RESONANCE [J].
BARBIER, C ;
LEVY, B ;
MILLIE, P .
CHEMICAL PHYSICS LETTERS, 1972, 17 (01) :122-126
[4]   ISOTOPE SHIFT IN PROTON MAGNETIC RESONANCE OF CH4,CH3D,CH2D2, AND CHD3 [J].
BERNHEIM, RA ;
LAVERY, BJ .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1464-&
[5]   INDIRECT NUCLEAR SPIN-SPIN COUPLING + ISOTOPE SHIFTS IN NUCLEAR MAGNETIC RESONANCE OF 15NH3 15NH2D + 15NHD2 [J].
BERNHEIM, RA ;
BATIZHER.H .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (11) :3446-&
[6]   CORRECTION [J].
BLIZZARD, AC .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (10) :4714-4714
[7]   SELF-CONSISTENT PERTURBATION THEORY OF NUCLEAR SPIN-COUPLING CONSTANTS - APPLICATION TO COUPLINGS INVOLVING CARBON AND FLUORINE [J].
BLIZZARD, AC ;
SANTRY, DP .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :950-&
[8]  
BLIZZARD AC, 1970, CHEM COMMUN, P1085
[9]  
BLIZZARD AC, 1970, CHEM COMMUN, P87
[10]   FLUORINE NUCLEAR SPIN COUPLING-CONSTANTS IN FLUORO-SUBSTITUTED FURANS [J].
BROWN, I ;
DAVIES, DW .
CHEMICAL PHYSICS LETTERS, 1976, 37 (01) :132-134