TREATMENT OF ELECTROSTATIC EFFECTS WITHIN THE MOLECULAR MECHANICS METHOD .2.

被引:82
作者
DOSENMICOVIC, L
JEREMIC, D
ALLINGER, NL
机构
[1] UNIV GEORGIA, DEPT CHEM, ATHENS, GA 30602 USA
[2] UNIV BELGRADE, FAC SCI, BELGRADE, YUGOSLAVIA
[3] INST CHEM TECHNOL & MET, BELGRADE, YUGOSLAVIA
关键词
D O I
10.1021/ja00345a004
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1723 / 1733
页数:11
相关论文
共 72 条
[1]   CONFORMATIONAL-ANALYSIS .25. CONFORMATIONAL EQUILIBRIA IN 5-HETEROSUBSTITUTED 1,3-DIOXANES - COMPARISON OF CALCULATED AND EXPERIMENTAL SOLVENT EFFECTS [J].
ABRAHAM, RJ ;
BANKS, HD ;
HOFER, O ;
KALOUSTI.MK ;
ELIEL, EL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (06) :1913-&
[2]   MEDIUM EFFECTS IN ROTATIONAL ISOMERISM .6. INCLUSION OF DIPOLE-DIPOLE INTERACTIONS IN POLAR SOLVENTS [J].
ABRAHAM, RJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1969, 73 (05) :1192-&
[3]   ROTATIONAL-ISOMERISM .15. SOLVENT DEPENDENCE OF CONFORMATIONAL EQUILIBRIA IN TRANS-1,2-DIHALOGENOCYCLOHEXANES AND TRANS-1,4-DIHALOGENOCYCLOHEXANES [J].
ABRAHAM, RJ ;
ROSSETTI, ZL .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1973, (05) :582-587
[4]   ROTATIONAL ISOMERISM .11. NUCLEAR MAGNETIC RESONANCE SPECTRA AND ROTATIONAL ISOMERISM OF 1,2-DIFLUORO-ETHANE AND 1,1,2-TRIFLUORO-ETHANE [J].
ABRAHAM, RJ ;
KEMP, RH .
JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC, 1971, (06) :1240-&
[5]   ROTATIONAL-ISOMERISM .14. MEDIUM EFFECTS ON CONFORMATIONAL EQUILIBRIA OF HALOGENOCYCLOHEXANES [J].
ABRAHAM, RJ ;
SIVERNS, TM .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1972, (11) :1587-&
[6]   CONFORMATIONAL EQUILIBRIA IN HALOCYCLOHEXANONES, AN NMR AND SOLVATION STUDY [J].
ABRAHAM, RJ ;
GRIFFITHS, L .
TETRAHEDRON, 1981, 37 (03) :575-583
[7]  
ABRAHAM RJ, 1974, INTERNAL ROTATION MO
[8]   CONFORMATIONAL ANALYSIS .27. CONFORMERS OF 2-FLUOROCYCLOHEXANONE [J].
ALLINGER, NL ;
BLATTER, HM .
JOURNAL OF ORGANIC CHEMISTRY, 1962, 27 (05) :1523-&
[9]   CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS [J].
ALLINGER, NL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) :8127-8134
[10]   CONFORMATIONAL-ANALYSIS .119. CHARGE-DISTRIBUTION IN MOLECULAR MECHANICS METHOD [J].
ALLINGER, NL ;
WUESTHOFF, MT .
TETRAHEDRON, 1977, 33 (01) :3-10