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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 73, 1991 - Issue 6
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Original Articles

Molecular dynamics simulation of solid biphenyl

András Baranyai Research School of Chemistry, Australian National University, GPO Box 4, Canberra, ACT, 2601, Australia; Laboratory of Theoretical Chemistry, Eötvös University, Budapest, Múzeum krt 6-8, 1088, Hungary
&
T.R. Welberry Research School of Chemistry, Australian National University, GPO Box 4, Canberra, ACT, 2601, Australia
Pages 1317-1334 | Received 26 Nov 1990, Accepted 24 Jan 1991, Published online: 26 Oct 2007

Citations (15)

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Read on this site (3)

T.R. Welberry & T. Weber. (2016) One hundred years of diffuse scattering. Crystallography Reviews 22:1, pages 2-78.
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Aparna Chakrabarti, S. Yashonath & C.N.R. Rao. (1995) A Monte Carlo study of the condensed phases of biphenyl. Molecular Physics 84:1, pages 49-68.
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András Baranyai & T.R. Welberry. (1992) Molecular dynamics simulation study of solid polyphenyls: Structures determined by the interplay between intra- and intermolecular forces. Molecular Physics 75:4, pages 867-879.
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Articles from other publishers (12)

Péter T. Kiss & András Baranyai. (2013) A systematic development of a polarizable potential of water. The Journal of Chemical Physics 138:20.
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Nader de Sousa Amadeu, Bob Grünberg, Jarek Frydel, Mayke Werner, Hans-Heinrich Limbach, Hergen Breitzke & Gerd Buntkowsky. (2012) Melting of Low Molecular Weight Compounds in Confinement Observed by 2 H-Solid State NMR: Biphenyl, a Case Study . Zeitschrift für Physikalische Chemie 226:11-12, pages 1169-1186.
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Lei ZhangGilles H. PeslherbeHeidi M. Muchall. (2010) A general measure of conjugation in biphenyls and their radical cations. Canadian Journal of Chemistry 88:11, pages 1175-1185.
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Guohua Tao & Richard M. Stratt. (2005) Why Does the Intermolecular Dynamics of Liquid Biphenyl so Closely Resemble that of Liquid Benzene? Molecular Dynamics Simulation of the Optical-Kerr-Effect Spectra. The Journal of Physical Chemistry B 110:2, pages 976-987.
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András Baranyai, Albert Bartók & Ariel A. Chialvo. (2005) Computer simulation of the 13 crystalline phases of ice. The Journal of Chemical Physics 123:5.
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I. Cacelli, G. Cinacchi, G. Prampolini & A. Tani. 2004. Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations. Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations 427 454 .
Ivo Cacelli & Giacomo Prampolini. (2003) Torsional Barriers and Correlations between Dihedrals in p -Polyphenyls . The Journal of Physical Chemistry A 107:41, pages 8665-8670.
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C. Meinel, H. Zimmermann, H. Schmitt & U. Haeberlen. (2003) Dynamics in molecular crystals: An application of proton NMR to selectively protonated biphenyl. Do the rings flip together or independently?. Applied Magnetic Resonance 24:1, pages 25-40.
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Patrice Bordat & Ross Brown. (1999) A molecular model of p-terphenyl and its disorder–order transition. Chemical Physics 246:1-3, pages 323-334.
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Amy E. Keating, Steve H. Shin, Frank K. Huang, Robin L. Garrell & Miguel A. Garcia-Garibay. (1999) Experimental and computational modeling of biphenyl twisting in a solid-to-solid carbene reaction. Tetrahedron Letters 40:2, pages 261-264.
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Sten Sarman. (1996) Molecular dynamics of biaxial nematic liquid crystals. The Journal of Chemical Physics 104:1, pages 342-350.
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S. R. Kudchadkar & J. M. Wiest. (1995) Molecular dynamics simulations of the glass former ortho-terphenyl. The Journal of Chemical Physics 103:19, pages 8566-8576.
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