A THEORETICAL-STUDY OF ADIABATIC PROTON-TRANSFER TO SIMPLE SUBSTITUTED ACETYLENES IN THEIR GROUND AND EXCITED-STATES

被引:9
作者
MARTIN, PS [1 ]
YATES, K [1 ]
CSIZMADIA, IG [1 ]
机构
[1] UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
来源
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1989年 / 67卷 / 12期
关键词
D O I
10.1139/v89-338
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:2178 / 2187
页数:10
相关论文
共 45 条
[1]   SUBSTITUENT EFFECTS AND EXCITED-STATE REACTIVITY [J].
BALDRY, PJ .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1979, (07) :951-953
[2]   APPLICATIONS OF THE EQUIVALENT CORES APPROXIMATION - THE DETERMINATION OF PROTON AFFINITIES AND ISOCYANIDE-TO-NITRILE ISOMERIZATION ENERGIES FROM CORE BINDING-ENERGIES [J].
BEACH, DB ;
EYERMANN, CJ ;
SMIT, SP ;
XIANG, SF ;
JOLLY, WL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (03) :536-539
[3]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[4]  
BINKLEY JS, 1980, GAUSSIAN 80
[5]   MOLECULAR GEOMETRY AND MULLIKEN-WALSH MOLECULAR-ORBITAL MODEL - AB-INITIO STUDY [J].
BUENKER, RJ ;
PEYERIMH.SD .
CHEMICAL REVIEWS, 1974, 74 (02) :127-188
[6]  
CARBO R, 1980, ADV QUANTUM CHEM, V12, P159
[7]  
CARBO R, 1978, GENERAL SCF THEORY
[8]   OPTIMALLY CONDITIONED OPTIMIZATION ALGORITHMS WITHOUT LINE SEARCHES [J].
DAVIDON, WC .
MATHEMATICAL PROGRAMMING, 1975, 9 (01) :1-30
[9]  
DAVIDSON WG, 1977, 306 APPL MATH DIV AR
[10]  
DAVIDSON WG, 1977, 303 APPL MATH DIV AR