CONFORMATIONAL-ANALYSIS .79. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF CARBONYL-COMPOUNDS

被引:235
作者
ALLINGER, NL
TRIBBLE, MT
MILLER, MA
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D O I
10.1016/S0040-4020(01)93541-0
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
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页码:1173 / &
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[1]   ELECTRON-DIFFRACTION STUDY OF ROTATIONAL ISOMERISM OF METHYL ETHYL KETONE [J].
ABE, M ;
KUCHITSU, K ;
SHIMANOU.T .
JOURNAL OF MOLECULAR STRUCTURE, 1969, 4 (2-4) :245-&
[2]   STRUCTURE, EQUILIBRIUM CONFORMATION, AND PSEUDOROTATION IN CYCLOPENTANE - AN ELECTRON DIFFRACTION STUDY [J].
ADAMS, WJ ;
GEISE, HJ ;
BARTELL, LS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (17) :5013-&
[3]   REMARK ON DIPOLE MOMENT OF CYCLOHEXANE-1,4-DIONE IN RELATION TO ITS FLEXIBLE MOLECULAR CONFORMATION [J].
AIHARA, A ;
KITAZAWA, C .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1971, 44 (01) :99-+
[4]   CONFORMATIONAL ANALYSIS . 38. CONFORMATIONS OF CYCLOHEXANONE RINGS [J].
ALLINGER, NL ;
DAROOGE, MA ;
ALLINGER, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (19) :4061-&
[5]   CONFORMATIONAL ANALYSIS .69. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF HYDROCARBONS [J].
ALLINGER, NL ;
TRIBBLE, MT ;
MILLER, MA ;
WERTZ, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (07) :1637-&
[6]   CONFORMATIONAL ANALYSIS .4. THE CONFORMATIONS OF THE CYCLOOCTANONE RING [J].
ALLINGER, NL ;
GREENBERG, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1959, 81 (21) :5733-5736
[7]   CONFORMATIONAL ANALYSIS .51. CONFORMATIONS OF CYCLOHEXANONE RINGS IN SIMPLE MOLECULES [J].
ALLINGER, NL ;
BLATTER, HM ;
FREIBERG, LA ;
KARKOWSK.FM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (13) :2999-&
[8]   CONFORMATIONAL ANALYSIS .25. MOLECULAR STRUCTURE OF 1,4-CYCLOHEXANEDIONE [J].
ALLINGER, NL ;
FREIBERG, LA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (24) :5028-&
[9]   CONFORMATIONAL ANALYSIS .65. CALCULATION BY WESTHEIMER METHOD OF STRUCTURES AND ENERGIES OF A VARIETY OF ORGANIC MOLECULES CONTAINING NITROGEN OXYGEN AND HALOGEN [J].
ALLINGER, NL ;
HIRSCH, JA ;
MILLER, MA ;
TYMINSKI, IJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (02) :337-&
[10]  
ALLINGER NL, 1965, TETRAHEDRON LETT, P2171