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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 56, 1985 - Issue 6
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Original Articles

Molecular dynamics simulation of plastic adamantane

I. Structural properties

M. Meyer Laboratoire de Physique des Matériaux C.N.R.S., 1, place Aristide Briand, 92195, Meudon Cedex, France
&
G. Ciccotti Dipartimento di Fisica G. Marconi, Universita di Roma, P. le A. Moro 5, 00185, Roma, Italy
Pages 1235-1248 | Received 22 May 1985, Accepted 22 Aug 1985, Published online: 23 Aug 2006

Citations (18)

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DAVID CATHIAUX, FRANJO SOKOLI[Cgrave]MARC DESCAMPS & AURÉLIEN PERERA. (1999) A molecular dynamics study of model cyanoadamantane. Molecular Physics 96:7, pages 1033-1042.
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DAVID W. GREIG. (1996) Molecular dynamics simulations of the order-disorder phase transition in adamantane. Molecular Physics 89:3, pages 677-689.
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A. Criado & A. Muñoz. (1994) A molecular dynamics simulation of the plastic phase of hexachloroethane. Molecular Physics 83:4, pages 815-833.
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M. Meyer, C. Marhic & G. Ciccotti. (1986) Molecular dynamics simulation of plastic adamantane. Molecular Physics 58:4, pages 723-733.
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Articles from other publishers (14)

Yating Zhou, Rhian Patterson, P. Andrew Williams, Benson M. Kariuki, Colan E. Hughes, Ranita Samanta, Ramesh Devarapalli, C. Malla Reddy, David C. Apperley & Kenneth D. M. Harris. (2019) Temperature-Dependent Structural Properties, Phase Transition Behavior, and Dynamic Properties of a Benzene Derivative in the Solid State. Crystal Growth & Design 19:4, pages 2155-2162.
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Antonio TorrisiCharlotte K. LeechKenneth ShanklandWilliam I. F. DavidRichard M. IbbersonJordi Benet-BuchholzRoland BoeseMaurice LeslieC. Richard A. CatlowSarah L. Price. (2008) Solid Phases of Cyclopentane:  Combined Experimental and Simulation Study. The Journal of Physical Chemistry B 112:12, pages 3746-3758.
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C.R.A. Catlow. 1997. Computer Modeling in Inorganic Crystallography. Computer Modeling in Inorganic Crystallography 1 22 .
A. Würflinger. (2010) Monte Carlo Simulation of the Rotator Phase of Cyclohexane. Berichte der Bunsengesellschaft für physikalische Chemie 99:6, pages 821-826.
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Krzysztof Rapcewicz & Jerzy Przystawa. (1995) On the order-disorder transition in crystalline adamantane C10H16. Physica B: Condensed Matter 205:1, pages 115-120.
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Wolfgang Breymann & Robert M. Pick. (1994) A realistic molecular dynamics simulation of the plastic crystalline phase of neopentane. II. Individual orientational dynamics. The Journal of Chemical Physics 100:3, pages 2232-2243.
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Mauro Ferrario. 1991. Computer Simulation in Materials Science. Computer Simulation in Materials Science 381 393 .
O. B. M. Hardouin Duparc & M. Meyer. (1990) Molecular dynamics of a plastic crystal with two types of orientational disorder: Static and dynamic properties of plastic bicyclooctane. The Journal of Chemical Physics 93:2, pages 1313-1324.
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M. Meyer. 1989. Computer Modelling of Fluids Polymers and Solids. Computer Modelling of Fluids Polymers and Solids 335 355 .
W. Breymann & R. M. Pick. (1989) A realistic molecular dynamics simulation of the plastic crystalline phase of neopentane. I. The model and its static properties. The Journal of Chemical Physics 91:5, pages 3119-3132.
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C. Hoheisel & A. Würflinger. (1989) Thermodynamic and transport properties of cyclohexane computed by molecular dynamics with use of a six-center Lennard-Jones potential. The Journal of Chemical Physics 91:1, pages 473-476.
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W. Smith & J. H. R. Clarke. (1989) A molecular dynamics study of the crystalline phases of potassium nitrate. The Journal of Chemical Physics 90:11, pages 6610-6618.
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D van der Putten & K.O Prins. (1988) 13C cross polarization and spin relaxation in adamantane at pressures up to 7 kbar. Journal of Magnetic Resonance (1969) 77:3, pages 550-561.
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Giovanni Ciccotti, Mauro Ferrario, Elisabetta Memeo & Madeleine Meyer. (1987) Structural Transition on Cooling of Plastic Adamantane: A Molecular-Dynamics Study. Physical Review Letters 59:22, pages 2574-2577.
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