Is Part Of: Molecular simulation. Volume 46:Issue 11(2020) - British Library Electronic Legal Deposit Catalogue-Journal Issues and Articles Search Results

Is Part Of Molecular simulation. Volume 46:Issue 11(2020)

1. Attachment characteristics of charged magnetic cubic particles to two parallel electrodes (3D Monte Carlo simulations). Issue 11 (23rd July 2020)

Authors:: Satoh, Akira; Okada, Kazuya; Futamura, Muneo
Journal:: Molecular simulation
Issue:: Volume 46:Issue 11(2020)
Page Start:: 837
Record Type:: Journal Article
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2. Correction. Issue 11 (23rd July 2020)

Journal:: Molecular simulation
Issue:: Volume 46:Issue 11(2020)
Page Start:: 865
Record Type:: Journal Article
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3. DFT study of gas adsorbing and electronic properties of unsaturated nanoporous graphene. Issue 11 (23rd July 2020)

Authors:: Huang, Lijuan; Miao, Shuanshuan; Wang, Xuchuan; Yang, Xiaoning
Journal:: Molecular simulation
Issue:: Volume 46:Issue 11(2020)
Page Start:: 853
Record Type:: Journal Article
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4. Identification of promising compounds from curry tree with cyclooxygenase inhibitory potential using a combination of machine learning, molecular docking, dynamics simulations and binding free energy calculations. Issue 11 (23rd July 2020)

Authors:: Pandya, Pujan N.; Kumar, Sivakumar Prasanth; Bhadresha, Kinjal; Patel, Chirag N.; Patel, Saumya K.; Rawal, Rakesh M.; Mankad, Archana U.
Journal:: Molecular simulation
Issue:: Volume 46:Issue 11(2020)
Page Start:: 812
Record Type:: Journal Article
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5. Identification of promising compounds from curry tree with cyclooxygenase inhibitory potential using a combination of machine learning, molecular docking, dynamics simulations and binding free energy calculations. Issue 11 (23rd July 2020)

Authors:: Pandya, Pujan N.; Kumar, Sivakumar Prasanth; Bhadresha, Kinjal; Patel, Chirag N.; Patel, Saumya K.; Rawal, Rakesh M.; Mankad, Archana U.
Journal:: Molecular simulation
Issue:: Volume 46:Issue 11(2020)
Page Start:: 812
Record Type:: Journal Article
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6. Investigation on the electrical and optical properties of forsterite Mg2SiO4 under pressure up to 30 GPa. Issue 11 (23rd July 2020)

Authors:: Yang, Xiaohong; Zhan, Qinghua
Journal:: Molecular simulation
Issue:: Volume 46:Issue 11(2020)
Page Start:: 805
Record Type:: Journal Article
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7. Layer-based thermal migration of an ionic liquid nano-droplet on a graphene surface: a molecular dynamics study. Issue 11 (23rd July 2020)

Authors:: Wang, Jingqiu; Zhang, Yong; Wang, Xiaolei; Maginn, Edward J.
Journal:: Molecular simulation
Issue:: Volume 46:Issue 11(2020)
Page Start:: 829
Record Type:: Journal Article
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8. Molecular dynamics simulations of polymerisation and crystallisation at constant chemical potential. Issue 11 (23rd July 2020)

Authors:: Chen, Wei; Ren, Ying
Journal:: Molecular simulation
Issue:: Volume 46:Issue 11(2020)
Page Start:: 823
Record Type:: Journal Article
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9. Retraction: ONETEP: Linear-Scaling Density-Functional Theory with Plane-waves. Issue 11 (23rd July 2020)

Journal:: Molecular simulation
Issue:: Volume 46:Issue 11(2020)
Page Start:: 864
Record Type:: Journal Article
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