Date: 2017 / Journal: Molecular simulation - British Library Electronic Legal Deposit Catalogue-Journal Issues and Articles Search Results

Date 2017 Journal Molecular simulation

1. 4th International Conference on Molecular Simulation 2016. Issue 13 (2nd November 2017)

Authors:: Sun, Huai
Journal:: Molecular simulation
Issue:: Volume 43:Issue 13/16(2017)
Page Start:: 969
Record Type:: Journal Article
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2. A coarse-grained model for PCL: conformation, self-assembly of MePEG-b-PCL amphiphilic diblock copolymers. Issue 2 (22nd January 2017)

Authors:: Raman, Abhinav S.; Vishnyakov, Aleksey; Chiew, Y. C.
Journal:: Molecular simulation
Issue:: Volume 43:Issue 2(2017)
Page Start:: 92
Record Type:: Journal Article
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3. A DFT and MD study of aqueous-phase dehydrogenation of glycerol on Pt(1 1 1): comparing chemical accuracy versus computational expense in different methods for calculating aqueous-phase system energies. Issue 5 (13th April 2017)

Authors:: Xie, Tianjun; Sarupria, Sapna; Getman, Rachel B.
Journal:: Molecular simulation
Issue:: Volume 43:Issue 5/6(2017)
Page Start:: 370
Record Type:: Journal Article
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4. A molecular dynamics investigation into the mechanisms of material removal and subsurface damage of nanoscale high speed laser-assisted machining. Issue 1 (2nd January 2017)

Authors:: Dai, Houfu; Chen, Genyu
Journal:: Molecular simulation
Issue:: Volume 43:Issue 1(2017)
Page Start:: 42
Record Type:: Journal Article
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5. A molecular dynamics simulation on the effect of different parameters on thermal resistance of graphene-argon interface. Issue 4 (4th March 2017)

Authors:: Amani, A.; Karimian, S. M. H.; Seyednia, M.
Journal:: Molecular simulation
Issue:: Volume 43:Issue 4(2017)
Page Start:: 276
Record Type:: Journal Article
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6. A Monte Carlo simulation study to predict the solubility of H2S in ionic liquids with 1-butyl-3-methylimidazolium ([C4mim+]) cation and tetrafluoroborate ([BF4−]), hexaflorophosphate ([PF6−]) and bis(trifluoromethanesulfonyl)amide ([Tf2N−]) anions. Issue 4 (4th March 2017)

Authors:: Singh, Ramesh
Journal:: Molecular simulation
Issue:: Volume 43:Issue 4(2017)
Page Start:: 291
Record Type:: Journal Article
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7. A multi-scale computational study on the mechanism of protonation of isobutene and 2-butene over HY zeolite. Issue 13 (2nd November 2017)

Authors:: Ren, Kui; Long, Jun; Ren, Qiang; Li, Yongxiang; Dai, Zhenyu
Journal:: Molecular simulation
Issue:: Volume 43:Issue 13/16(2017)
Page Start:: 1348
Record Type:: Journal Article
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8. A new kinetic Monte Carlo scheme with Gibbs ensemble to determine vapour–liquid equilibria. Issue 2 (22nd January 2017)

Authors:: Tan, Shiliang Johnathan; Do, D. D.; Nicholson, D.
Journal:: Molecular simulation
Issue:: Volume 43:Issue 2(2017)
Page Start:: 76
Record Type:: Journal Article
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9. A novel algorithm to accelerate the convergence of grand canonical Monte Carlo simulation of non-uniform fluids. Issue 4 (4th March 2017)

Authors:: Zeng, Yonghong; Do, D. D.; Nicholson, D.
Journal:: Molecular simulation
Issue:: Volume 43:Issue 4(2017)
Page Start:: 243
Record Type:: Journal Article
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10. A QM/MM study on the correlation between the polarisations of and electrons in a hydrated benzene. Issue 13 (2nd November 2017)

Authors:: Suzuoka, Daiki; Takahashi, Hideaki; Morita, Akihiro
Journal:: Molecular simulation
Issue:: Volume 43:Issue 13/16(2017)
Page Start:: 1209
Record Type:: Journal Article
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