STRAIN-ENERGY MINIMIZATION STUDY OF THE MECHANISM OF, AND THE BARRIER TO, CONFORMATIONAL INTERCONVERSION IN 5-MEMBERED DIAMINE CHELATE RINGS

被引:31
作者
HAMBLEY, TW
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D O I
10.1002/jcc.540080510
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O6 [化学];
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0703 ;
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页码:651 / 657
页数:7
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共 25 条
[1]   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
[2]  
BEATTIE JK, 1971, ACCTS CHEM RES, V4
[4]  
BURKERT V, 1982, MOL MECHANICS
[5]   BARRIER TO RING INVERSION IN TETRAHEDRAL COMPLEXES OF N,N,N',N'-TETRAMETHYLETHYLENEDIAMINE [J].
CAULTON, KG .
INORGANIC & NUCLEAR CHEMISTRY LETTERS, 1973, 9 (05) :533-538
[6]   SYMMETRY-CONSTRAINED FORCE FIELDS IN PREDICTION OF MOLECULAR GEOMETRIES OF METAL-COMPLEXES .1. [J].
DWYER, M ;
GEUE, RJ ;
SNOW, MR .
INORGANIC CHEMISTRY, 1973, 12 (09) :2057-2061
[7]   ELECTRON-TRANSFER REACTIVITY IN SOME SIMPLE COBALT(III) COBALT(II) COUPLES - FRANCK-CONDON VS ELECTRONIC CONTRIBUTIONS [J].
ENDICOTT, JF ;
BRUBAKER, GR ;
RAMASAMI, T ;
KUMAR, K ;
DWARAKANATH, K ;
CASSEL, J ;
JOHNSON, D .
INORGANIC CHEMISTRY, 1983, 22 (25) :3754-3762
[8]   DETERMINATION OF MOLECULAR SYMMETRIES BY FORCE-FIELD CALCULATIONS AND EVALUATION OF SYMMETRIC AND NONSYMMETRIC CONFORMATIONAL TRANSITION-STATES AVOIDING COMPLETE POINT-BY-POINT MAPPING [J].
ERMER, O .
TETRAHEDRON, 1975, 31 (16) :1849-1854
[9]   NUCLEAR MAGNETIC-RESONANCE STUDY OF RING INVERSION AND NITROGEN INVERSION IN SUBSTITUTED ETHYLENEDIAMINE COMPLEXES OF PRASEODYMIUM [J].
EVANS, DF ;
DEVILLARDI, GC .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1976, (01) :7-8
[10]   UTAH5, A VERSATILE PROGRAM PACKAGE FOR CALCULATION OF MOLECULAR-PROPERTIES BY FORCE-FIELD METHODS [J].
FABER, DH ;
ALTONA, C .
COMPUTERS & CHEMISTRY, 1977, 1 (03) :203-213