Molecular Simulation, Volume 22, Issue 1 (1999)

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Molecular Simulation, Volume 22, Issue 1 (1999)

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Materials Modelling

Editorials

Editorial
Guest Editorial
Phuti E Ngoepe
Page: i
Published online: 23 Sep 2006
CitationforGuest Editorial | PDF (39.9 KB)
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Original Articles

Article
Computer Modelling and Exafs Study of the Disorder In Cd1−xPbxF2 Mixed Systems
T. T. Netshisaulu, P. E. Ngoepe & A. V. Chadwick
Pages: 1-21
Published online: 23 Sep 2006
AbstractforComputer Modelling and Exafs Study of the Disorder In Cd1−xPbxF2 Mixed Systems | References | PDF (821.1 KB)
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Article
Electronic Structure of Platinum-Group Minerals: Prediction of Semiconductor Band Gaps
D. Nguyen-Manh, P. S. Ntoahae, D. G. Pettifor & P. E. Ngoepe
Pages: 23-30
Published online: 23 Sep 2006
AbstractforElectronic Structure of Platinum-Group Minerals: Prediction of Semiconductor Band Gaps | References | PDF (396.6 KB)
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Article
Internal Relaxation, Band Gaps and Elastic Constant Calculations of FeS2
H. M. Sithole, D. Nguyen-Manh, D. G. Pettifor & P. E. Ngoepe
Pages: 31-37
Published online: 23 Sep 2006
AbstractforInternal Relaxation, Band Gaps and Elastic Constant Calculations of FeS2 | References | PDF (331.3 KB)
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Article
Effects of Local and Gradient-Corrected Density Approximations on the Prediction of the Intralayer Lattice Distance c, in Graphite and LiC6
K. R. Kganyago & P. E. Ngoepe
Pages: 39-49
Published online: 23 Sep 2006
AbstractforEffects of Local and Gradient-Corrected Density Approximations on the Prediction of the Intralayer Lattice Distance c, in Graphite and LiC6 | References | PDF (961.8 KB)
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Preliminary Communication

Article
Molecular Dynamics of Poly(Lactide-Co-Glycolide) Controlled Pharmaceutical Release Polymers: Preliminary Solid State NMR
Nathalie Dastbaz, David A. Middleton, Ashley George & David G. Reid
Pages: 51-55
Published online: 23 Sep 2006
AbstractforMolecular Dynamics of Poly(Lactide-Co-Glycolide) Controlled Pharmaceutical Release Polymers: Preliminary Solid State NMR | References | PDF (200 KB)
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Original Articles

Article
Data Collection for the Calculation of Phase Equilibria
L. A. Cornish & M. J. Witcomb
Pages: 57-80
Published online: 23 Sep 2006
AbstractforData Collection for the Calculation of Phase Equilibria | References | PDF (1.5 MB)
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Article
Minerals Processing in South Africa: Materials Modelling Opportunities
J. P. R. De Villiers
Pages: 81-90
Published online: 23 Sep 2006
AbstractforMinerals Processing in South Africa: Materials Modelling Opportunities | References | PDF (561.1 KB)
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Editorials

Editorial
Editorial board page for “Molecular Simulation”, Volume 22, Number 1
Page: a
Published online: 23 Sep 2006
AbstractforEditorial board page for “Molecular Simulation”, Volume 22, Number 1 | PDF (58.2 KB)
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