CALCULATION OF CHEMICAL SHIFTS IN CONJUGATED MOLECULES .1. A CURRENT DENSITY APPROACH

被引：32

作者：

AMOS, AT

ROBERTS, HGF

机构：

来源：

MOLECULAR PHYSICS | 1971年 / 20卷 / 06期

关键词：

D O I：

10.1080/00268977100101051

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

收藏

页码：1073 / &

相关论文

共 22 条

[11] RING CURRENTS AND PROTON MAGNETIC RESONANCE IN AROMATIC MOLECULES
MCWEENY, R
[J]. MOLECULAR PHYSICS, 1958, 1 (04) : 311 - 321
[12] HIGH-RESOLUTION NMR SPECTRA OF POLYCYCLIC HYDROCARBONS
MEMORY, JD
PARKER, GW
HALSEY, JC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (10) : 3567 - &
[13] MEMORY JD, 1967, J CHEM PHYS, V47, P2020
[14] Musher J. I., 1966, ADV MAGN RESON, V2, P177
[15] RING CURRENTS AND PROTON SHIELDING IN POLYCYCLIC HYDROCARBONS
PARKER, GW
MEMORY, JD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (04) : 1388 - &
[16] MOLECULAR-ORBITAL THEORY OF DIAMAGNETISM .1. AN APPROXIMATE LCAO SCHEME
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (01) : 53 - &
[17] POPLE JA, 1964, MOLEC PHYS, V41, P2559
[18] UNCOUPLED HARTREE-FOCK CALCULATIONS OF RING CURRENT CONTRIBUTION TO CHEMICAL SHIFTS IN CONJUGATED HYDROCARBONS
ROBERTS, HG
[J]. THEORETICA CHIMICA ACTA, 1969, 15 (01): : 63 - &
[19] Slichter C.P., 1963, PRINCIPLES MAGNETIC
[20] NUCLEAR RESONANCE SPECTRA OF HYDROCARBONS - THE FREE ELECTRON MODEL
WAUGH, JS
FESSENDEN, RW
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1957, 79 (04) : 846 - 849