MOLECULAR-ORBITAL STUDIES OF METHYLATION EFFECTS IN AROMATIC-HYDROCARBONS .1. ABINITIO CALCULATIONS OF THE STRUCTURE, ELECTRONIC-PROPERTIES, AND ENERGY OF TOLUENE, 1-METHYLNAPHTHALENE, AND 2-METHYLNAPHTHALENE

被引:35
作者
GEORGE, P
BOCK, CW
STEZOWSKI, JJ
HILDENBRAND, T
GLUSKER, JP
机构
[1] FOX CHASE CANC CTR,INST CANC RES,7701 BURHOLME AVE,PHILADELPHIA,PA 19111
[2] UNIV PENN,DEPT BIOL,LEIDY LABS,PHILADELPHIA,PA 19104
[3] PHILADELPHIA COLL TEXT & SCI,PHILADELPHIA,PA 19144
[4] UNIV STUTTGART,INST ORGAN CHEM BIOCHEM & ISOTOPENFORSCH,D-7000 STUTTGART 80,FED REP GER
关键词
D O I
10.1021/j100331a023
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:5656 / 5666
页数:11
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