THE EFFECT OF SOLVENT ON THE INTERNAL-ROTATION OF FORMAMIDE - AN ABINITIO STUDY USING A POLARIZABLE CONTINUUM MODEL

被引：33

作者：

DUBEN, AJ ^{[1
]}

MIERTUS, S ^{[1
]}

机构：

[1] SLOVAK UNIV TECHNOL BRATISLAVA, DEPT ANALYT CHEM, CS-88037 BRATISLAVA, CZECHOSLOVAKIA

来源：

CHEMICAL PHYSICS LETTERS | 1982年 / 88卷 / 04期

关键词：

D O I：

10.1016/0009-2614(82)83032-7

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：395 / 398

页数：4

共 18 条

[1] INFLUENCE OF SOLVENTS ON PROPERTIES OF CHEMICAL COMPOUNDS .1. DETERMINATION OF CONFORMATIONAL STRUCTURE OF BIPHENYL, BUTADIENE, BENZALDEHYDE, PROPIONALDEHYDE, FURFURAL AND FORMAMIDE BY MEANS OF A CONTINUUM MODEL
BIRNSTOCK, F
HOFMANN, HJ
KOHLER, HJ
[J]. THEORETICA CHIMICA ACTA, 1976, 42 (04): : 311 - 323
[2] Born M., 1932, Z PHYS, V75, P1, DOI [DOI 10.1007/BF01340511, 10.1007/BF01340511]
[3] THE EFFECT OF SOLVENT ON THE INTERNAL-ROTATION OF FORMAMIDE - A CNDO/2-SOLVATON METHOD STUDY
DUBEN, AJ
MIERTUS, S
[J]. THEORETICA CHIMICA ACTA, 1981, 60 (04): : 327 - 337
[4] SOLVENT INTERACTION WITHIN HARTREE-FOCK SCF MOLECULAR-ORBITAL FORMALISM
GERMER, HA
[J]. THEORETICA CHIMICA ACTA, 1974, 34 (02): : 145 - 155
[5] HEHRE WJ, 1973, GAUSSIAN70
[6] NUCLEAR MAGNETIC DOUBLE-RESONANCE STUDY OF HINDERED INTERNAL ROTATION IN FORMAMIDE
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[J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1968, 41 (10) : 2269 - +
[7] On the Theory and Systematic of Molecular Forces
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[J]. ZEITSCHRIFT FUR PHYSIK, 1930, 63 (3-4): : 245 - 279
[8] QUANTUM-CHEMICAL STUDY OF RADICAL IONS AND MOLECULES INCORPORATING SOLVENT EFFECT .2. CALCULATION OF ELECTRONIC-TRANSITIONS AND SPIN-DENSITIES OF VARIOUS CONJUGATED RADICAL-ANIONS IN PI-APPROXIMATION
MIERTUS, S
KYSEL, O
[J]. CHEMICAL PHYSICS, 1977, 21 (01) : 33 - 45
[9] ELECTROSTATIC INTERACTION OF A SOLUTE WITH A CONTINUUM - A DIRECT UTILIZATION OF ABINITIO MOLECULAR POTENTIALS FOR THE PREVISION OF SOLVENT EFFECTS
MIERTUS, S
SCROCCO, E
TOMASI, J
[J]. CHEMICAL PHYSICS, 1981, 55 (01) : 117 - 129
[10] QUANTUM-CHEMICAL STUDY OF RADICAL IONS AND MOLECULES INCORPORATING THE SOLVENT EFFECT - COMMENT ON THE METHOD OF INCORPORATION OF THE SOLVENT EFFECT
MIERTUS, S
KYSEL, O
[J]. CHEMICAL PHYSICS LETTERS, 1979, 65 (02) : 395 - 398

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