TOWARD A DETAILED ORBITAL THEORY OF SUBSTITUENT EFFECTS - CHARGE-TRANSFER, POLARIZATION, AND METHYL-GROUP

被引:416
作者
LIBIT, L [1 ]
HOFFMANN, R [1 ]
机构
[1] CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
关键词
D O I
10.1021/ja00812a019
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
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页码:1370 / 1383
页数:14
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共 125 条
[1]   A COMMENT ON APPLICATION OF HARTREE-FOCK PERTURBATION THEORY TO PI-ELECTRON SYSTEMS [J].
AMOS, AT ;
MUSHER, JI .
MOLECULAR PHYSICS, 1967, 13 (06) :509-&
[2]  
ANDRE JM, 1971, B SOC CHIM BELG, V80, P585
[3]   STABILITIES OF CARBONIUM IONS IN SOLUTION .4. A LARGE BAKER-NATHAN EFFECT FOR ALKYLBENZENONIUM IONS [J].
ARNETT, EM ;
LARSEN, JW .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (06) :1438-&
[4]  
Baird N C, 1969, CAN J CHEM, V47, P2306, DOI 10.1139/v69-374
[5]   GROUND STATES OF SIGMA-BONDED MOLECULES .6. BENZENE AND ITS ISOMERS . INDUCTIVE EFFECTS IN BENZENE [J].
BAIRD, NC ;
DEWAR, MJS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (02) :352-&
[6]   DISSOCIATION CONSTANTS OF BICYCLO[2.2.2]OCT-2-ENE-1-CARBOXYLIC ACIDS DIBENZOBICYCLO[2.2.2]OCTA-2,5-DIENE-1-CARBOXYLIC ACIDS AND CUBANECARBOXYLIC ACIDS [J].
BAKER, FW ;
PARISH, RC ;
STOCK, LM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (22) :5677-&
[7]   STURCTURAL ASPECTS OF KINETICS OF 4-CENTER REACTIONS IN VAPOR PHASE [J].
BENSON, SW ;
BOSE, AN .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (12) :3463-&
[8]   VALENCE SHELL CALCULATIONS ON POLYATOMIC MOLECULES .2. CNDO SCF CALCULATIONS ON MONOSUBSTITUTED BENZENES [J].
BLOOR, JE ;
BREEN, DL .
JOURNAL OF PHYSICAL CHEMISTRY, 1968, 72 (02) :716-&
[9]   FRONTIER MOLECULAR-ORBITALS - LINK BETWEEN KINETICS AND BONDING THEORY [J].
BRADLEY, JD ;
GERRANS, GC .
JOURNAL OF CHEMICAL EDUCATION, 1973, 50 (07) :463-466
[10]   GAS-PHASE ACIDITIES OF ALCOHOLS [J].
BRAUMAN, JI ;
BLAIR, LK .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (20) :5986-&