THE EFFECT OF SOLVENT ON THE INTERNAL-ROTATION OF FORMAMIDE - A CNDO/2-SOLVATON METHOD STUDY

被引：20

作者：

DUBEN, AJ ^{[1
]}

MIERTUS, S ^{[1
]}

机构：

[1] SLOVAK ACAD SCI, INST POLYMER, CS-80934 BRATISLAVA, CZECHOSLOVAKIA

来源：

THEORETICA CHIMICA ACTA | 1981年 / 60卷 / 04期

关键词：

D O I：

10.1007/BF00549276

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：327 / 337

页数：11

共 26 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] IS FORMAMIDE PLANAR OR NONPLANAR
CARLSEN, NR
RADOM, L
RIGGS, NV
RODWELL, WR
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (08) : 2233 - 2234
[3] RESULTS OF AB-INITIO CALCULATIONS ON FORMAMIDE
CHRISTENSEN, DH
KORTZEBORN, RN
BAK, B
LED, JJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (10) : 3912 - 3922
[4] THEORY OF SOLVENT EFFECTS - VIRTUAL CHARGE MODEL TO REPRESENT SOLVENT POLARIZATION
CONSTANCIEL, R
TAPIA, O
[J]. THEORETICA CHIMICA ACTA, 1978, 48 (01): : 75 - 86
[5] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) : 724 - +
[6] SOLVENT INTERACTION WITHIN HARTREE-FOCK SCF MOLECULAR-ORBITAL FORMALISM - ADDITIONAL COMMENT
GERMER, HA
[J]. THEORETICA CHIMICA ACTA, 1974, 35 (03): : 273 - 274
[7] SOLVENT INTERACTION WITHIN HARTREE-FOCK SCF MOLECULAR-ORBITAL FORMALISM
GERMER, HA
[J]. THEORETICA CHIMICA ACTA, 1974, 34 (02): : 145 - 155
[8] MOLECULAR ELECTROSTATIC POTENTIALS - COMPARISON OF AB-INITIO AND CNDO RESULTS
GIESSNER.C
PULLMAN, A
[J]. THEORETICA CHIMICA ACTA, 1972, 25 (01): : 83 - &
[9] GENERALIZED VALENCE BOND DESCRIPTION OF VALENCE STATES OF FORMAMIDE
HARDING, LB
GODDARD, WA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (22) : 6300 - 6305
[10] THEORETICAL CONFORMATIONAL-ANALYSIS CONSIDERING SOLVENT EFFECTS
HOFMANN, HJ
PEINEL, G
WELLER, T
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 16 (02) : 379 - 386

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