Molecular Simulation, Volume 36, Issue 3 (2010)

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Molecular Simulation, Volume 36, Issue 3 (2010)

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Original Articles

Article
Phase behaviour and separation kinetics of symmetric non-additive hard discs
Laura Muñoz-Salazar & Gerardo Odriozola
Pages: 175-185
Published online: 27 Aug 2009
AbstractforPhase behaviour and separation kinetics of symmetric non-additive hard discs | Full Text | References | PDF (1.1 MB)
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Article
A molecular simulation of the compatibility of chitosan and poly(vinyl pyrrolidone)
Qiang Yin, Jian-hui Luo, Ge Zhou, Qin-jian Yin & Bo Jiang
Pages: 186-191
Published online: 10 Sep 2009
AbstractforA molecular simulation of the compatibility of chitosan and poly(vinyl pyrrolidone) | Full Text | References | PDF (251.5 KB)
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Article
Theoretical study on phthalocyanine, pyrazinoporphyrazine and their complexation with Mg2+ and Zn2+ 
A. Lee, D. Kim, S.-H. Choi, J.-W. Park, J.-Y. Jaung & D.H. Jung
Pages: 192-198
Published online: 17 Aug 2009
AbstractforTheoretical study on phthalocyanine, pyrazinoporphyrazine and their complexation with Mg2+ and Zn2+  | Full Text | References | PDF (755.2 KB)
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Article
Molecular dynamics simulation of the adenylylsulphate reductase from hyperthermophilic Archaeoglobus fulgidus
Elias S. dos Santos, Dermeval S. Gritta, Carlton A. Taft, Paulo F. Almeida & Elias Ramos-de-Souza
Pages: 199-203
Published online: 14 Aug 2009
AbstractforMolecular dynamics simulation of the adenylylsulphate reductase from hyperthermophilic Archaeoglobus fulgidus | Full Text | References | PDF (294.6 KB)
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Article
Charge effects on alkanes and the potential applications in selective catalysis: insights from theoretical studies
Gang Yang, Chengbu Liu, Xiuwen Han & Xinhe Bao
Pages: 204-211
Published online: 13 Aug 2009
AbstractforCharge effects on alkanes and the potential applications in selective catalysis: insights from theoretical studies | Full Text | References | PDF (329.4 KB)
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Article
Computational characterisation of the charge-transfer and T-shaped molecular complexes of N-methyl imidazoline-2-thione and N-methyl imidazolidine-2-thione with the dihalogens Br2 and I2
Agnie Mylona Kosmas & Demetrios K. Papayannis
Pages: 212-220
Published online: 14 Aug 2009
AbstractforComputational characterisation of the charge-transfer and T-shaped molecular complexes of N-methyl imidazoline-2-thione and N-methyl imidazolidine-2-thione with the dihalogens Br2 and I2 | Full Text | References | PDF (166.5 KB)
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Article
DNA force-extension curve under uniaxial stretching
Hamid Dalir, Takasi Nisisako, Yasuko Yanagida & Takeshi Hatsuzawa
Pages: 221-228
Published online: 27 Aug 2009
AbstractforDNA force-extension curve under uniaxial stretching | Full Text | References | PDF (808 KB)
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Article
Dynamic properties of methane, water and methane hydrates using computational simulations
F. Castillo-Borja, R. Vázquez-Román & U.I. Bravo-Sánchez
Pages: 229-239
Published online: 02 Sep 2009
AbstractforDynamic properties of methane, water and methane hydrates using computational simulations | Full Text | References | PDF (1.2 MB)
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Article
Kinetic Monte Carlo simulation for the void defects formation in Czochralski silicon growth
Sang Hun Lee, Hyun Jong Cho, Hyun Jung Oh & Do Hyun Kim
Pages: 240-245
Published online: 10 Sep 2009
AbstractforKinetic Monte Carlo simulation for the void defects formation in Czochralski silicon growth | Full Text | References | PDF (1 MB)
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Article
Analysis of dissociation process for gas hydrates by molecular dynamics simulation
Yoshio Iwai, Hiroki Nakamura, Yuki Arai & Yusuke Shimoyama
Pages: 246-253
Published online: 08 Oct 2009
AbstractforAnalysis of dissociation process for gas hydrates by molecular dynamics simulation | Full Text | References | PDF (556 KB)
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Errata

Correction
Corrigendum
Toshiki Mima, Tetsu Narumi, Shun Kameoka & Kenji Yasuoka
Page: 254
Published online: 24 Feb 2010
CitationforCorrigendum | Full Text | PDF (39.1 KB)
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