POTENTIAL-ENERGY SURFACE OF THE SN2 REACTION IN HYDRATED CLUSTERS

被引:150
作者
MOROKUMA, K
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10.1021/ja00377a037
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O6 [化学];
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0703 ;
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页码:3732 / 3733
页数:2
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共 16 条
[1]   INTERPRETATION OF CHARGE AND ENERGY CHANGES IN 2 NUCLEOPHILIC DISPLACEMENT REACTIONS [J].
BADER, RFW ;
DUKE, AJ ;
MESSER, RR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (23) :7715-7721
[2]   BRIDGING THE GAP BETWEEN THE GAS-PHASE AND SOLUTION - TRANSITION IN THE KINETICS OF NUCLEOPHILIC DISPLACEMENT-REACTIONS [J].
BOHME, DK ;
MACKAY, GI .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (04) :978-979
[3]   COMPARATIVE STUDY OF SOME SN2 REACTIONS THROUGH AB-INITIO CALCULATIONS [J].
DEDIEU, A ;
VEILLARD, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (19) :6730-&
[4]  
HARTSHORN SR, 1973, ALIPHALIC NUCLEOPHIL
[5]  
INGOLD CK, 1969, STRUCTURE MECHANISM
[6]   THEORETICAL-STUDY OF SN2 REACTIONS - ABINITIO COMPUTATIONS ON HF AND CI LEVEL [J].
KEIL, F ;
AHLRICHS, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (16) :4787-4793
[7]   EFFICIENT DETERMINATION AND CHARACTERIZATION OF TRANSITION-STATES USING ABINITIO METHODS [J].
KOMORNICKI, A ;
ISHIDA, K ;
MOROKUMA, K ;
DITCHFIELD, R ;
CONRAD, M .
CHEMICAL PHYSICS LETTERS, 1977, 45 (03) :595-602
[8]  
MOROKUMA K, 1980, IMS0372 COMP CTR LIB
[9]  
MOROKUMA K, UNPUB
[10]   GAS-PHASE NUCLEOPHILIC DISPLACEMENT-REACTIONS [J].
OLMSTEAD, WN ;
BRAUMAN, JI .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (13) :4219-4228