CALCULATION OF NMR SPIN-SPIN COUPLING-CONSTANTS USING STANDARD LCAO-SCF-MO METHODS

被引：11

作者：

ANDRE, JM ^{[1
]}

NAGY, JB ^{[1
]}

DEROUANE, EG ^{[1
]}

FRIPIAT, JG ^{[1
]}

VERCAUTEREN, DP ^{[1
]}

机构：

[1] FAC UNIV NOTRE DAME PAIX,CHEM PHYS GRP,NAMUR,BELGIUM

来源：

JOURNAL OF MAGNETIC RESONANCE | 1977年 / 26卷 / 02期

关键词：

D O I：

10.1016/0022-2364(77)90177-9

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

页码：317 / 332

页数：16

共 35 条

[1]

ATHERTON NM, 1973, ELECTRON SPIN RESONA

[2] DOUBLE PERTURBATION THEORETICAL CALCULATION OF NUCLEAR COUPLING-CONSTANT J-2 IN SATURATED COMPOUNDS [J].

BARBIER, C ;

BERTHIER, G ;

LEVY, B ;

MILLIE, P ;

NOEL, P .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1975, 72 (7-8) :859-862

[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] 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-&

[5]

EMSLEY JW, 1966, HIGH RESOLUTION NUCL, V1

[6]

GOLDING RM, 1969, APPLIED WAVE MECHANI

[7] LARGE CONFIGURATION INTERACTION CALCULATIONS OF NUCLEAR SPIN - SPIN COUPLING-CONSTANTS .1. HD MOLECULE [J].

KOWALEWSKI, J ;

ROOS, B ;

SIEGBAHN, P ;

VESTIN, R .

CHEMICAL PHYSICS, 1974, 3 (01) :70-77

[8] LARGE CONFIGURATION INTERACTION CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS .2. SOME POLYATOMIC-MOLECULES [J].

KOWALEWSKI, J ;

ROOS, B ;

SIEGBAHN, P ;

VESTIN, R .

CHEMICAL PHYSICS, 1975, 9 (1-2) :29-39

[9] ANALYSIS OF PROTON MAGNETIC RESONANCE SPECTRUM OF CYCLOPROPENE [J].

LAMBERT, JB .

JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (10) :2221-&

[10]

LEVY GC, CARBON 13 NMR SPECTR

← 1 2 3 4 →