Molecular Simulation, Volume 32, Issue 1 (2006)

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Molecular Simulation, Volume 32, Issue 1 (2006)

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Original Articles

Article
The simulation of imidazolium-based ionic liquids
P. A. Hunt
Pages: 1-10
Published online: 20 Nov 2006
AbstractforThe simulation of imidazolium-based ionic liquids | Full Text | References | PDF (163.9 KB)
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Article
Molecular dynamics simulation of Henry's constant of argon, nitrogen, methane and oxygen in ethylene oxide
M. Krishnamurthy, S. Murad & J. D. Olson
Pages: 11-16
Published online: 20 Nov 2006
AbstractforMolecular dynamics simulation of Henry's constant of argon, nitrogen, methane and oxygen in ethylene oxide | Full Text | References | PDF (231.5 KB)
  • 405 Views
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Article
A theoretical study of the interactions of water with gallic acid and a PEO/TGG complex
R. Gaudreault, T. G. M. van de Ven & M. A. Whitehead
Pages: 17-27
Published online: 20 Nov 2006
AbstractforA theoretical study of the interactions of water with gallic acid and a PEO/TGG complex | Full Text | References | PDF (2.1 MB)
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Article
On 3DD-curves of DNA sequences
Y. Zhang, B. Liao & K. Ding
Pages: 29-34
Published online: 20 Nov 2006
AbstractforOn 3DD-curves of DNA sequences | Full Text | References | PDF (205.8 KB)
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Article
Incorporation of impurity anions into DSP: insights into structure and stability from computer modelling
J. L. Lowe, A. L. Rohl, J. D. Gale, P. G. Smith & G. M. Parkinson
Pages: 35-44
Published online: 20 Nov 2006
AbstractforIncorporation of impurity anions into DSP: insights into structure and stability from computer modelling | Full Text | References | PDF (432 KB)
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Article
Some physical properties of the Weeks–Chandler–Andersen fluid
D. M. Heyes & H. Okumura
Pages: 45-50
Published online: 20 Nov 2006
AbstractforSome physical properties of the Weeks–Chandler–Andersen fluid | Full Text | References | PDF (193.3 KB)
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Article
Molecular dynamics simulations of polyampholyte solutions: osmotic coefficient
J. Feng, H. Liu & Y. Hu
Pages: 51-57
Published online: 20 Nov 2006
AbstractforMolecular dynamics simulations of polyampholyte solutions: osmotic coefficient | Full Text | References | PDF (174.6 KB)
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Article
Geometrical deformation and failure behavior of C60 fullerene dimer under applied external electric field
H. Shen
Pages: 59-64
Published online: 20 Nov 2006
AbstractforGeometrical deformation and failure behavior of C60 fullerene dimer under applied external electric field | Full Text | References | PDF (332.5 KB)
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Article
Molecular parameter optimization using simulated annealing and evolutionary algorithm techniques in a quantum parametric method (CATIVIC)
M. Sánchez, L. S. Rodríguez, G. Larrazabal, L. Galean, N. Bello & F. Ruette
Pages: 65-70
Published online: 20 Nov 2006
AbstractforMolecular parameter optimization using simulated annealing and evolutionary algorithm techniques in a quantum parametric method (CATIVIC) | Full Text | References | PDF (305 KB)
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