A REALISTIC MOLECULAR-DYNAMICS SIMULATION OF THE PLASTIC CRYSTALLINE PHASE OF NEOPENTANE .1. THE MODEL AND ITS STATIC PROPERTIES

被引:14
作者
BREYMANN, W
PICK, RM
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10.1063/1.456934
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O64 [物理化学(理论化学)、化学物理学];
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070304 ; 081704 ;
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页码:3119 / 3132
页数:14
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[1]  
AMBARD MH, 1987, THESIS PARIS
[2]   MOLECULAR STRUCTURES OF NEOPENTANE AND DI-TERT-BUTYLMETHANE BY VAPOR-PHASE ELECTRON-DIFFRACTION [J].
BARTELL, LS ;
BRADFORD, WF .
JOURNAL OF MOLECULAR STRUCTURE, 1977, 37 (01) :113-126
[3]   ANISOTROPY OF THE ELECTROSTATIC INTERACTIONS AND THE PROPERTIES OF ORIENTATIONALLY DISORDERED CYANIDE CRYSTALS [J].
BOUNDS, DG ;
KLEIN, ML ;
MCDONALD, IR .
PHYSICAL REVIEW LETTERS, 1981, 46 (26) :1682-1685
[4]  
BRADLEY CJ, 1972, MATH THEORY SYMMETRY, P51
[5]   COMPUTER-SIMULATION VERSUS EXPERIMENT - THE STRUCTURE OF ORIENTATIONALLY DISORDERED NEOPENTANE [J].
BREYMANN, W ;
DEPONDT, P ;
PICK, RM .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1988, 66 (04) :798-803
[6]   A MEAN-FIELD DESCRIPTION OF THE ORIENTATIONAL DISORDERED PHASE OF NEOPENTANE [J].
BREYMANN, W ;
PICK, RM .
EUROPHYSICS LETTERS, 1989, 8 (05) :429-434
[7]   ORIENTATIONAL PROBABILITY-DISTRIBUTION FUNCTION IN A PLASTIC CRYSTAL - 1ST DETERMINATION OF A COEFFICIENT OF THE 2ND KIND [J].
BREYMANN, W ;
PICK, RM .
EUROPHYSICS LETTERS, 1988, 6 (03) :227-231
[8]  
BREYMANN W, IN PRESS
[9]   ANALYSIS OF A MOLECULAR-DYNAMICS COMPUTATION OF A 2D ROTATOR PHASE [J].
BUCHET, P ;
PICK, RM .
EUROPHYSICS LETTERS, 1986, 2 (09) :709-714
[10]   A MOLECULAR-DYNAMICS SIMULATION FOR AN ODIC PHASE .3. ANALYSIS OF THE CORRELATION-FUNCTIONS [J].
BUCHET, P ;
PICK, RM .
JOURNAL DE PHYSIQUE, 1987, 48 (05) :821-835