A THEORETICAL INVESTIGATION ON THE ROLE OF SOLVENT IN SOLVOLYTIC REACTIONS .6. AN ABINITIO MO CALCULATION FOR DISSOCIATION OF FLUOROMETHANE IN HYDROFLUORIC-ACID

被引：9

作者：

GAMBA, A

MANUNZA, B

GATTI, C

SIMONETTA, M

机构：

[1] UNIV MILAN, IST CHIM FIS, I-20133 MILAN, ITALY

[2] UNIV MILAN, CTR CNR, I-20133 MILAN, ITALY

来源：

THEORETICA CHIMICA ACTA | 1983年 / 63卷 / 03期

关键词：

D O I：

10.1007/BF00569249

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

页码：245 / 253

页数：9

共 17 条

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[2] GEOMETRY AND ELECTRONIC-STRUCTURE OF INTIMATE AND SOLVENT-SEPARATED ION-PAIRS OF FLUOROMETHANE IN WATER
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[3] INFLUENCE OF SOLVATION ON CALCULATED ACTIVATION-ENERGY FOR REACTION CH3F+F-
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[J]. THEORETICA CHIMICA ACTA, 1972, 25 (03): : 237 - +
[4] THEORETICAL-STUDY OF THE SOLVATION OF NITROGEN - 2 DIFFERENT APPROACHES
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ERCOLI, R
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[J]. THEORETICA CHIMICA ACTA, 1981, 58 (02): : 97 - 109
[5] A THEORETICAL INVESTIGATION OF THE ROLE OF THE SOLVENT ON THE STRUCTURE OF THE INTERMEDIATES IN SOLVOLYTIC REACTIONS .4. METHANEDIAZONIUM ION AND METHYL-FLUORIDE IN HYDROFLUORIC-ACID
DEMONTIS, P
FOIS, E
GAMBA, A
MANUNZA, B
SUFFRITTI, GB
SIMONETTA, M
[J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1982, (07): : 783 - 788
[6] DEMONTIS P, JCS P2
[7] CHEMICAL STATICS OF THE METHYL HALIDES IN WATER
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[J]. DISCUSSIONS OF THE FARADAY SOCIETY, 1953, (15): : 150 - 161
[8] JEHRE WJ, 1974, QCPE, V10, P236
[9] POSSIBLE IMPROVEMENTS OF THE INTERACTION ENERGY CALCULATED USING MINIMAL BASIS SETS
KOLOS, W
[J]. THEORETICA CHIMICA ACTA, 1979, 51 (03): : 219 - 240
[10] KOLOS W, 1972, INT J QUANTUM CHEM, V6, P1101

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