COUPLED HARTREE-FOCK CALCULATIONS OF NUCLEAR MAGNETIC-RESONANCE CARBON-CARBON COUPLING-CONSTANTS IN SUBSTITUTED BENZENES

被引：24

作者：

LAZZERETTI, P ^{[1
]}

TADDEI, F ^{[1
]}

ZANASI, R ^{[1
]}

机构：

[1] UNIV MODENA, IST CHIM ORG, I-41100 MODENA, ITALY

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1976年 / 98卷 / 25期

关键词：

D O I：

10.1021/ja00441a019

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：7989 / 7993

页数：5

共 40 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] APPROXIMATE CALCULATION OF SPIN-DIPOLAR AND ORBITAL CONTRIBUTIONS TO NUCLEAR SPIN COUPLING CONSTANTS JCC WITH EXACT LACAO-SCF MO FUNCTIONS [J].

BARBIER, C ;

FAUCHER, H ;

BERTHIER, G .

THEORETICA CHIMICA ACTA, 1971, 21 (01) :105-&

[3] SEMIEMPIRICAL MO CALCULATIONS OF NUCLEAR SPIN COUPLING-CONSTANTS [J].

BARBIERI, G ;

BENASSI, R ;

LAZZERETTI, P ;

TADDEI, F .

ORGANIC MAGNETIC RESONANCE, 1975, 7 (11) :563-568

[4] MAGNETIC CRITERIA FOR AROMATICITY [J].

BENASSI, R ;

LAZZERETTI, P ;

TADDEI, F .

JOURNAL OF PHYSICAL CHEMISTRY, 1975, 79 (08) :848-851

[5] CORRECTION [J].

BLIZZARD, AC .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (10) :4714-4714

[6] 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-&

[7]

BLIZZARD AG, 1970, CHEM COMMUN, V87, P1085

[8] FLUORINE NUCLEAR COUPLING-CONSTANTS IN FLUOROBENZENES - INFLUENCE OF ORBITAL TERM ON J-FF(META) [J].

BROWN, I ;

DAVIES, DW .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1972, (16) :939-&

[9] VICINAL FLUORINE NUCLEAR COUPLING-CONSTANTS IN FLUOROETHANES - SELF-CONSISTENT PERTURBATION-THEORY CALCULATIONS [J].

BROWN, I ;

DAVIES, DW .

CHEMICAL PHYSICS LETTERS, 1972, 15 (03) :455-&

[10]

DAVIES DW, 1967, THEORY ELECTRIC MAGN

← 1 2 3 4 →