APPROACHES TO CHARGE CALCULATIONS IN MOLECULAR MECHANICS .2. RESONANCE EFFECTS IN CONJUGATED SYSTEMS

被引:31
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ABRAHAM, RJ
HUDSON, B
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10.1002/jcc.540050609
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O6 [化学];
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0703 ;
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页码:562 / 570
页数:9
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共 16 条
[1]   CONFORMATIONAL EQUILIBRIA IN HALOCYCLOHEXANONES, AN NMR AND SOLVATION STUDY [J].
ABRAHAM, RJ ;
GRIFFITHS, L .
TETRAHEDRON, 1981, 37 (03) :575-583
[2]   APPROACHES TO CHARGE CALCULATIONS IN MOLECULAR MECHANICS [J].
ABRAHAM, RJ ;
GRIFFITHS, L ;
LOFTUS, P .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) :407-416
[3]   ITERATIVE PARTIAL EQUALIZATION OF ORBITAL ELECTRONEGATIVITY - A RAPID ACCESS TO ATOMIC CHARGES [J].
GASTEIGER, J ;
MARSILI, M .
TETRAHEDRON, 1980, 36 (22) :3219-3228
[5]  
Hellwege KH, 1976, STRUCTURE DATA FREE, V7
[6]   ELECTRONEGATIVITY .1. ORBITAL ELECTRONEGATIVITY OF NEUTRAL ATOMS [J].
HINZE, J ;
JAFFE, HH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (04) :540-&
[7]  
MCCLELLAN AL, 1963, TABLES EXPT DIPOLE M, V1
[8]  
McClellan AL, 1974, TABLES EXPT DIPOLE M, V2
[9]   NEW EMPIRICAL-METHOD TO CALCULATE AVERAGE MOLECULAR POLARIZABILITIES [J].
MILLER, KJ ;
SAVCHIK, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (24) :7206-7213
[10]  
Mislow K, 1965, INTRO STEREOCHEMISTR