COUPLED HARTREE-FOCK AND FINITE PERTURBATION-CONFIGURATION INTERACTION CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS IN THE 2ND-ROW HYDRIDES

被引:26
作者
KOWALEWSKI, J [1 ]
LAAKSONEN, A [1 ]
SAUNDERS, VR [1 ]
机构
[1] SRC,DARESBURY LAB,WARRINGTON WA4 4AD,LANCASHIRE,ENGLAND
关键词
D O I
10.1063/1.441362
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
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页码:2412 / 2415
页数:4
相关论文
共 38 条
[1]   THEORETICAL CALCULATIONS OF NUCLEAR-SPIN COUPLING OF PHOSPHORUS TO CARBON AND HYDROGEN BY FINITE PERTURBATION METHOD [J].
ALBRIGHT, TA .
ORGANIC MAGNETIC RESONANCE, 1976, 8 (10) :489-499
[2]  
ALMLOF J, 1974, USIP7429 REP
[3]  
BARBIERI G, 1975, GAZZ CHIM ITAL, V105, P807
[4]   CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS OF 2ND-ROW ELEMENTS .1. COUPLINGS TO HYDROGEN [J].
BEER, MD ;
GRINTER, R .
JOURNAL OF MAGNETIC RESONANCE, 1977, 26 (03) :421-431
[5]   CALCULATION OF NUCLEAR SPIN COUPLING CONSTANTS .2. ONE- AND 2-BOND COUPLINGS [J].
COWLEY, AH ;
WHITE, WD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (08) :1917-&
[6]   Z DEPENDENCE OF COUPLING CONSTANTS BETWEEN DIRECTLY BONDED NUCLEI - VALUE OF J(GE-73-C-13) [J].
DALLING, DK ;
GUTOWSKY, HS .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4959-&
[7]   Geminal coupling constants in group IV hydrides [J].
Dreeskamp, H. ;
Schumann, Chr. .
CHEMICAL PHYSICS LETTERS, 1968, 1 (11) :555-556
[8]   NMR SPECTRA OF PHOSPHINE ARSINE AND STIBINE [J].
EBSWORTH.EA ;
SHERDRIC.GM .
TRANSACTIONS OF THE FARADAY SOCIETY, 1967, 63 (533P) :1071-&
[9]   NUCLEAR MAGNETIC RESONANCE SPECTRA OF SILICON HYDRIDES AND DERIVATES .1. COUPLING CONSTANTS INVOLVING HYDROGEN [J].
EBSWORTH, EA ;
TURNER, JJ .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (10) :2628-&
[10]   ABINITIO REINVESTIGATION OF PC AND PH COUPLING-CONSTANTS IN PHOSPHATES [J].
GIESSNERPRETTRE, C ;
PULLMAN, B .
JOURNAL OF THEORETICAL BIOLOGY, 1978, 72 (04) :751-756