Molecular Simulation, Volume 9, Issue 2 (1992)

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Molecular Simulation, Volume 9, Issue 2 (1992)

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Editorials

Editorial
Guest Editorial
N. L. Allan
Page: 81
Published online: 23 Oct 2006
CitationforGuest Editorial | PDF (39.4 KB)
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Original Articles

Article
Computer Simulation of Surface Segregation
P. R. Kenway, P. M. Oliver, S. C. Parker, D. C. Sayle, T. X.T. Sayle & J. O. Titiloye
Pages: 83-98
Published online: 23 Oct 2006
AbstractforComputer Simulation of Surface Segregation | References | PDF (4.3 MB)
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Article
Molecular Dynamics Simulations of Polyacetylene
G. Sesé, C. R. A. Catlow & B. Vessal
Pages: 99-113
Published online: 23 Oct 2006
AbstractforMolecular Dynamics Simulations of Polyacetylene | References | PDF (631 KB)
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Article
Differences Between High-Tc Oxides Containing Six-, Five-, Four- And Two-Fold Coordinated Copper
N. L. Allan, P. S. Baram, W. C. Mackrodt & M. J. Turner
Pages: 115-128
Published online: 23 Oct 2006
AbstractforDifferences Between High-Tc Oxides Containing Six-, Five-, Four- And Two-Fold Coordinated Copper | References | PDF (863.8 KB)
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Article
Computer Modelling of Phosphate Biominerals: Parameterisation for Perfect Lattice Calculations
M. G. Taylor, K. Simkiss, M. G. B. Drew, P. C. H. Mitchell & M. Leslie
Pages: 129-141
Published online: 23 Oct 2006
AbstractforComputer Modelling of Phosphate Biominerals: Parameterisation for Perfect Lattice Calculations | References | PDF (679.5 KB)
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Article
Molecular Mechanics Studies of Molybdenum Disulphide Catalysts Parameterisation of Molybdenum and Sulphur
Thierry M. Brunier, Michael G. B. Drew & Philip C. H. Mitchell
Pages: 143-159
Published online: 23 Oct 2006
AbstractforMolecular Mechanics Studies of Molybdenum Disulphide Catalysts Parameterisation of Molybdenum and Sulphur | References | PDF (854.2 KB)
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Article
Polar Solids at High Pressure: NaF
N. L. Allan, M. Braithwaite, D. L. Cooper, W. C. Mackrodt & B. Petch
Pages: 161-169
Published online: 23 Oct 2006
AbstractforPolar Solids at High Pressure: NaF | References | PDF (352.5 KB)
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Article
The Derivation of Shell Model Potentials for MgCl2 From Ab Initio Theory
N. M. Harrison & M. Leslie
Pages: 171-174
Published online: 23 Oct 2006
AbstractforThe Derivation of Shell Model Potentials for MgCl2 From Ab Initio Theory | References | PDF (312.1 KB)
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Article
A Transferable Interatomic Potential for Calcium Carbonate
R. A. Jackson & G. D. Price
Pages: 175-177
Published online: 23 Oct 2006
AbstractforA Transferable Interatomic Potential for Calcium Carbonate | References | PDF (146.9 KB)
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