INTERPRETATION OF CHARGE AND ENERGY CHANGES IN 2 NUCLEOPHILIC DISPLACEMENT REACTIONS

被引：97

作者：

BADER, RFW ^{[1
]}

DUKE, AJ ^{[1
]}

MESSER, RR ^{[1
]}

机构：

[1] MCMASTER UNIV, DEPT CHEM, HAMILTON L8S 4M1, ONTARIO, CANADA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1973年 / 95卷 / 23期

关键词：

D O I：

10.1021/ja00804a028

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：7715 / 7721

页数：7

共 13 条

[1]

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[2] THEORETICAL DEVELOPMENT OF A VIRIAL RELATIONSHIP FOR SPATIALLY DEFINED FRAGMENTS OF MOLECULAR SYSTEMS [J].

BADER, RFW ;

BEDDALL, PM ;

PESLAK, J .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (02) :557-566

[3] MOLECULAR CHARGE DISTRIBUTIONS AND CHEMICAL BINDING .2. FIRST-ROW DIATOMIC HYDRIDES AH [J].

BADER, RFW ;

KEAVENY, I ;

CADE, PE .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (09) :3381-&

[4] VIRIAL PARTITIONING OF CHARGE DISTRIBUTIONS AND PROPERTIES OF DIATOMIC HYDRIDES [J].

BADER, RFW ;

BEDDALL, PM .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (02) :305-315

[5] VIRIAL FIELD RELATIONSHIP FOR MOLECULAR CHARGE DISTRIBUTIONS AND SPATIAL PARTITIONING OF MOLECULAR PROPERTIES [J].

BADER, RFW ;

BEDDALL, PM .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (07) :3320-+

[6] 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-&

[7] HARTREE-FOCK SCF CALCULATION OF ACTIVATION ENERGIES FOR 2 SN2 REACTIONS [J].

DUKE, AJ ;

BADER, RFW .

CHEMICAL PHYSICS LETTERS, 1971, 10 (05) :631-&

[8] A CORRELATION OF REACTION RATES [J].

HAMMOND, GS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1955, 77 (02) :334-338

[9]

Horiuti J, 1935, ACTA PHYSICOCHIM URS, V2, P505

[10]

POPLE JA, 1970, APPROXIMATE MOLECULA

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