CALCULATIONS OF THE ORBITAL DIAMAGNETIC CONTRIBUTION TO NUCLEAR-SPIN SPIN COUPLING-CONSTANTS FOR MOLECULES WITH MULTIPLE BONDS

被引：25

作者：

OVERILL, RE ^{[1
]}

SAUNDERS, VR ^{[1
]}

机构：

[1] SCI & ENGN RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND

来源：

CHEMICAL PHYSICS LETTERS | 1984年 / 106卷 / 03期

关键词：

D O I：

10.1016/0009-2614(84)80225-0

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：197 / 200

页数：4

共 18 条

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[3] ABINITIO SOS-CI CALCULATIONS OF MAGNETIC-PROPERTIES OF THE 1ST-ROW AND 2ND-ROW HYDRIDES
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[J]. THEORETICA CHIMICA ACTA, 1983, 63 (01): : 35 - 41
[4] GALASSO V, 1983, J MOL STRUC-THEOCHEM, V93, P201
[5] INVESTIGATION OF SELF-CONSISTENT FIELD PERTURBATION-THEORY APPLIED TO CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS
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OVERILL, RE
[J]. MOLECULAR PHYSICS, 1978, 35 (02) : 427 - 443
[6] GUEST MF, 1976, ATMOL3 REFERENCE MAN
[7] DEUTERON MAGNETIC-RESONANCE OF MONODEUTEROETHENE - ISOTROPIC AND ANISOTROPIC PHASE SPECTRA
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[J]. MOLECULAR PHYSICS, 1976, 31 (06) : 1669 - 1676
[8] FINITE PERTURBATION MCSCF AND CI CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS FOR SOME MOLECULES WITH MULTIPLE BONDS
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[J]. CHEMICAL PHYSICS, 1983, 80 (03) : 221 - 227
[9] A SPIN-UNRESTRICTED MC SCF CALCULATION OF NUCLEAR-SPIN SPIN COUPLING-CONSTANTS IN THE HCN MOLECULE
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[J]. CHEMICAL PHYSICS LETTERS, 1983, 95 (4-5) : 375 - 378
[10] DIAMAGNETIC CONTRIBUTIONS TO THE NUCLEAR SPIN-SPIN COUPLING-CONSTANTS OF SEVERAL SMALL MOLECULES - APPLICATION OF MONTE-CARLO INTEGRATION METHODS TO MOLECULAR ONE-ELECTRON PROPERTIES
LEE, WS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (03) : 1530 - 1537

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