THE ABINITIO MODELING OF HAMMETT-TYPE CORRELATIONS - THE SEPARATION OF INDUCTIVE EFFECTS FROM MESOMERIC EFFECTS IN AROMATIC SYSTEMS

被引:10
作者
NIWA, J
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10.1246/bcsj.62.226
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O6 [化学];
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0703 ;
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页码:226 / 233
页数:8
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共 16 条
[1]   PARA SUBSTITUENT C-13 CHEMICAL-SHIFTS IN SUBSTITUTED BENZENES .1. UPDATING THE SIGMA-OR SCALE AND ANALYSIS OF APROTIC-SOLVENT EFFECTS [J].
BROMILOW, J ;
BROWNLEE, RTC ;
LOPEZ, VO ;
TAFT, RW .
JOURNAL OF ORGANIC CHEMISTRY, 1979, 44 (26) :4766-4770
[2]  
CHAPMAN NB, 1978, CORRELATION ANAL CHE, P119
[3]  
CHHAPMAN NB, 1972, ADV LINEAR FREE ENER, P11
[4]  
DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
[5]   EFFECTS ON THE ACIDITIES OF PHENOLS FROM SPECIFIC SUBSTITUENT-SOLVENT INTERACTIONS - INHERENT SUBSTITUENT PARAMETERS FROM GAS-PHASE ACIDITIES [J].
FUJIO, M ;
MCIVER, RT ;
TAFT, RW .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (14) :4017-4029
[6]   MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .5. ANALYSIS OF HYDROGEN-BOND ENERGY BETWEEN LOWER EXCITED-STATES OF H2CO AND H2O [J].
IWATA, S ;
MOROKUMA, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (23) :7563-7575
[7]  
MOROKUMA K, 1977, ACCOUNTS CHEM RES, V10, P295
[8]  
Newman M. S, 1956, STERIC EFFECTS OR ED, P556
[9]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .24. SUPPLEMENTED SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS [J].
PIETRO, WJ ;
FRANCL, MM ;
HEHRE, WJ ;
DEFREES, DJ ;
POPLE, JA ;
BINKLEY, JS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (19) :5039-5048
[10]  
SHORTER J, 1982, CORRELATION ANAL ORG, P216