CONFORMATIONAL-ANALYSIS .122. HEATS OF FORMATION OF CONJUGATED HYDROCARBONS BY FORCE-FIELD METHOD

被引：195

作者：

KAO, J ^{[1
]}

ALLINGER, NL ^{[1
]}

机构：

[1] UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1977年 / 99卷 / 04期

关键词：

D O I：

10.1021/ja00446a001

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：975 / 986

页数：12

共 50 条

[21] ON THE CHEMISTRY OF PYRROLE PIGMENTS .39. A FORCE-FIELD MODEL FOR THE CONFORMATIONAL-ANALYSIS OF BILE-PIGMENTS
FALK, H
HOLLBACHER, G
HOFER, O
MULLER, N
MONATSHEFTE FUR CHEMIE, 1981, 112 (03): : 391 - 403
[22] CONFORMATIONAL-ANALYSIS .129. HEATS OF FORMATION AND THERMODYNAMIC PARAMETERS FOR HYDROCARBONS, CALCULATED BY THE MOLECULAR MECHANICS METHOD INCLUDING THE EFFECTS OF MOLECULAR VIBRATIONS
WERTZ, DH
ALLINGER, NL
TETRAHEDRON, 1979, 35 (01) : 3 - 12
[23] COMBINATION OF EMPIRICAL FORCE-FIELD AND EXTENDED HUCKEL MOLECULAR-ORBITAL CALCULATIONS AS A COMPUTATIONAL APPROACH TO CONFORMATIONAL-ANALYSIS
DOUGHERTY, DA
MISLOW, K
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (06) : 1401 - 1405
[24] CONFORMATIONAL-ANALYSIS .122. CONFORMATIONS, ENERGIES, AND ELECTRONIC ABSORPTION-SPECTRA OF ALPHA,BETA-UNSATURATED ALDEHYDES AND KETONES
LILJEFORS, T
ALLINGER, NL
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (10) : 2745 - 2749
[25] TRANSFERABILITY OF QUANTUM-MECHANICAL FORCE-FIELD SCALE FACTORS BETWEEN CONJUGATED HYDROCARBONS
BOCK, CW
MCDIARMID, R
PANCHENKO, YN
PUPYSHEV, VI
KRASNOSHCHIOKOV, SV
JOURNAL OF MOLECULAR STRUCTURE, 1990, 222 (3-4) : 415 - 429
[26] MOLECULAR MECHANICS (MM2) AND CONFORMATIONAL-ANALYSIS OF COMPOUNDS WITH NCO UNITS - PARAMETRIZATION OF THE FORCE-FIELD AND ANOMERIC EFFECT
FERNANDEZ, B
RIOS, MA
CARBALLEIRA, L
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1991, 12 (01) : 78 - 90
[27] APPLICATION OF FORCE-FIELD CALCULATIONS .4. A FORCE-FIELD FOR THE CALCULATION OF THE STRUCTURES AND HEATS OF FORMATION OF ALKYLBENZENES AND ITS TEST OF RELIABILITY ON HIGHLY STRAINED DIPHENYLETHANES
BECKHAUS, HD
CHEMISCHE BERICHTE-RECUEIL, 1983, 116 (01): : 86 - 96
[28] CONFORMATIONAL-ANALYSIS OF BRIDGED BIPHENYLS AND 2,2'-BIPYRIDINES - EMPIRICAL FORCE-FIELD CALCULATIONS (MM2-V4)
JAIME, C
FONT, J
JOURNAL OF ORGANIC CHEMISTRY, 1990, 55 (09): : 2637 - 2644
[29] CONFORMATIONAL-ANALYSIS OF JET-COOLED TRYPTOPHAN ANALOGS AND HISTAMINE USING THE MM3(94) FORCE-FIELD - COMPARISON WITH EXPERIMENT
SULKES, M
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1995, 16 (08) : 973 - 983
[30] CONFORMATIONAL-ANALYSIS OF CHIRAL ALKENES AND OXONIUM IONS - ABINITIO MOLECULAR-ORBITAL CALCULATIONS AND AN IMPROVED MM2 FORCE-FIELD
BROEKER, JL
HOFFMANN, RW
HOUK, KN
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (13) : 5006 - 5017

← 1 2 3 4 5 →