EXTENDED HUCKEL THEORY MO CALCULATIONS OF PROTON-PROTON COUPLING CONSTANTS .2. EFFECT OF SUBSTITUENTS ON VICINAL COUPLINGS IN MONOSUBSTITUTED ETHANES

被引：100

|

作者：

PACHLER, KGR

机构：

来源：

TETRAHEDRON | 1971年 / 27卷 / 01期

关键词：

D O I：

10.1016/S0040-4020(01)92410-X

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

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页码：187 / &

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[31] Quantum-Chemical Simulation of 1H NMR Spectra. 2. Comparison of DFT-Based Procedures for Computing Proton-Proton Coupling Constants in Organic Molecules
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[35] MOLECULAR-STATE CLOSE-COUPLING THEORY INCLUDING CONTINUUM STATES .2. PACKET STATES AND COUPLINGS FOR THE PROTON HYDROGEN-ATOM SYSTEM
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[36] CONFORMATION OF NON-AROMATIC RING COMPOUNDS .68. CALCULATION OF DIHEDRAL ANGLES FROM VICINAL PROTON COUPLING CONSTANTS IN 6-MEMBERED RING COMPOUNDS .2.
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[J]. RECUEIL DES TRAVAUX CHIMIQUES DES PAYS-BAS, 1970, 89 (12): : 1253 - &
[37] TEMPERATURE-DEPENDENT HYPERFINE COUPLING-CONSTANTS IN ELECTRON-SPIN RESONANCE .2. PERTURBATION CALCULATION OF EFFECT OF ROTATION ON SPIN POLARIZATION CONTRIBUTION TO HYDROXYL PROTON COUPLING-CONSTANTS
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[38] STRUCTURAL DEPENDENCE OF INDUCTIVE EFFECT .7. EFFECTS OF 1-SUBSTITUENTS UPON GEMINAL PROTON-FLUORINE SPIN-SPIN COUPLING-CONSTANTS (2JFH)
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