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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 34, 1977 - Issue 1
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Original Articles

Monte Carlo calculations on rare-gas crystals

D.N. Card Department of Chemistry, University of Western Ontario, London, Ontario, N6A 5B7, Canada
&
P.W.M. Jacobs Department of Chemistry, University of Western Ontario, London, Ontario, N6A 5B7, Canada; Centre for Chemical Physics, University of Western OntarioView further author information
Pages 1-19 | Received 09 Feb 1977, Published online: 22 Aug 2006

Citations (21)

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Read on this site (2)

C.R.A. Catlow, J. Corish, J.H. Harding & P.W.M. Jacobs. (1987) A calculation of defect Gibbs energies for silver chloride and silver bromide. Philosophical Magazine A 55:4, pages 481-498.
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WilliamJ. Meath & R.A. Aziz. (1984) On the importance and problems in the construction of many-body potentials. Molecular Physics 52:1, pages 225-243.
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Articles from other publishers (19)

J. Davoodi, M. Soleymani & H. Alizade Sabet. (2017) Thermal Stability of Single Walled SiGe Nanotube with Vacancy Defects: a Molecular Dynamics Simulation Study. Silicon 10:3, pages 731-736.
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A. I. Karasevskii & V. V. Lubashenko. (2007) Thermodynamics and microstructure of vacancies in rare gas crystals at high temperature. Low Temperature Physics 33:6, pages 578-583.
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V. I. Zubov & I. V. Zubov. (2006) On the thermal vacancy effects on thermodynamic properties and stability of Van der Waals crystals. physica status solidi (b) 243:12, pages 2711-2718.
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Viatcheslav I. Zubov & Igor V. Zubov. (2005) Thermal Vacancy Effects on the Thermodynamic Properties and Stability of Fullerites. The Journal of Physical Chemistry B 109:30, pages 14627-14631.
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Ralph O. Simmons. (1997) Defects in noble gas crystals. Materials Chemistry and Physics 50:2, pages 124-132.
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S. Sh. Soulayman, J. V. Zanchetta & J. C. Giuntini. (1995) A statistical theory of mixtures: Application in the calculation of the vacancy formation parameters in rare gas solids. The Journal of Chemical Physics 102:19, pages 7641-7649.
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A. V. Chadwick. 1994. Defects and Disorder in Crystalline and Amorphous Solids. Defects and Disorder in Crystalline and Amorphous Solids 25 48 .
R.C. Baetzold, C.R.A. Catlow, J. Corish, F.M. Healy, P.W.M. Jacobs, M. Leslie & Y.T. Tan. (1989) The effects of three-body interactions on crystal properties and defect energies in silver halides. Journal of Physics and Chemistry of Solids 50:8, pages 791-800.
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J. Corish. 1986. Defects in Solids. Defects in Solids 1 36 .
E.T. Brook-levinson & O.D. Chernetsov. (1984) Vacancy-pair interaction potential in an equilibrium monatomic solid. Physics Letters A 106:7, pages 305-308.
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É. T. Bruk-Levinson & A. V. Zakharov. (1983) Statistical thermodynamics of schottky defects in molecular and ionic crystals. Journal of engineering physics 44:2, pages 166-171.
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P. R. Granfors, A. T. Macrander & R. O. Simmons. (1981) Crystalline xenon: Lattice parameters, thermal expansion, thermal vacancies, and equation of state. Physical Review B 24:8, pages 4753-4763.
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V. I. Zubov. (2006) On the Statistical Theory of Point Defects in Pure Crystals with Strong Anharmonicity. physica status solidi (b) 106:2.
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W. Schommers. (1980) Contribution of three-body interactions to the dynamic correlations in gaseous krypton. Physical Review A 22:6, pages 2855-2859.
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V. I. Zubov. (2006) On the Statistical Theory of Vacancies in Strongly Anharmonic Crystals. physica status solidi (b) 101:1, pages 95-107.
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A. T. Macrander. (1980) Constant-volume x-ray study of solid argon and solid krypton. Physical Review B 21:6, pages 2549-2561.
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S. N. Maity, D. Roy & S. Sengupta. (2006) Long‐range many‐body interaction and monovacancy heat of formation of rare‐gas crystals. physica status solidi (b) 96:2, pages 883-890.
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C R A Catlow, J Corish & P W M Jacobs. (1979) A calculation of the Frenkel defect formation energy in silver chloride. Journal of Physics C: Solid State Physics 12:17, pages 3433-3445.
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J. Vermesse & D. Levesque. (1979) Study of three effective interactions for krypton by molecular-dynamics simulation. Physical Review A 19:4, pages 1801-1807.
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