MOLECULAR MECHANICS - THE MM3 FORCE-FIELD FOR HYDROCARBONS .1.

被引:2897
作者
ALLINGER, NL
YUH, YH
LII, JH
机构
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D O I
10.1021/ja00205a001
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O6 [化学];
学科分类号
0703 ;
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页码:8551 / 8566
页数:16
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[101]   CONFORMATION OF CYCLOOCTANE - EXPERIMENTAL-DETERMINATION BY NMR IN AN ORIENTED SOLVENT [J].
MEIBOOM, S ;
HEWITT, RC ;
LUZ, Z .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (09) :4041-4051
[102]   ABINITIO HEATS OF FORMATION OF MEDIUM-SIZED HYDROCARBONS .8. ON THE HOMOAROMATIC CHARACTER OF TRIQUINACENE [J].
MILLER, MA ;
SCHULMAN, JM ;
DISCH, RL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (23) :7681-7684
[103]  
Niketic S. R., 1977, CONSISTENT FORCE FIE
[104]   APPLICATIONS OF POTENTIAL-ENERGY CALCULATIONS TO ORGANIC-CHEMISTRY .17. CALCULATIONS OF HIGHLY STRAINED CYCLOPROPANE DERIVATIVES - EVALUATION OF SEVERAL SOLAR-ENERGY STORAGE-SYSTEMS INVOLVING VALENCE ISOMERIZATION OF CYCLOPROPANE RINGS [J].
OSAWA, E ;
SZALONTAI, G ;
TSURUMOTO, A .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1983, (08) :1209-1216
[105]  
OSAWA E, 1982, TOP STEREOCHEM, V13, P117
[106]   BENZENE-BENZENE (PHENYL-PHENYL) INTERACTIONS IN MM2/MMP2 MOLECULAR MECHANICS CALCULATIONS [J].
PETTERSSON, I ;
LILJEFORS, T .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1987, 8 (08) :1139-1145
[107]   TUNABLE LASER SPECTRA OF THE INFRARED-ACTIVE FUNDAMENTALS OF CUBANE [J].
PINE, AS ;
MAKI, AG ;
ROBIETTE, AG ;
KROHN, BJ ;
WATSON, JKG ;
URBANEK, T .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (04) :891-897
[109]   NMR-SPECTROSCOPY OF CYCLOHEXANE - GAS-PHASE CONFORMATIONAL KINETICS [J].
ROSS, BD ;
TRUE, NS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (15) :4871-4875
[110]   ABINITIO STUDIES OF STRUCTURAL FEATURES NOT EASILY AMENABLE TO EXPERIMENT .22. STRUCTURAL ASPECTS OF A LONG-CHAIN HYDROCARBON (NORMAL-NONANE) AND A STUDY OF THE TRANSFERABILITY OF ELECTRONIC EFFECTS THROUGH C - C SINGLE BONDS [J].
SCARSDALE, JN ;
SELLERS, HL ;
SCHAFER, L ;
ALLINGER, NL .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (02) :269-272