Molecular Simulation, Volume 42, Issue 18 (2016)

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Molecular Simulation, Volume 42, Issue 18 (2016)

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Article
Mechanical behaviour of bio-inspired brittle-matrix nanocomposites under different strain rates using molecular dynamics
S. Mathiazhagan & S. Anup
Pages: 1490-1501
Published online: 16 Sep 2016
AbstractforMechanical behaviour of bio-inspired brittle-matrix nanocomposites under different strain rates using molecular dynamics | Full Text | References | PDF (3.8 MB)
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Article
Mechanical properties of pristine and nanoporous graphene
Anthea Agius Anastasi, Konstantinos Ritos, Glenn Cassar & Matthew K. Borg
Pages: 1502-1511
Published online: 14 Sep 2016
AbstractforMechanical properties of pristine and nanoporous graphene | Full Text | References | PDF (1.6 MB)
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Open Access
Article
Electronic structure of boron-doped finite graphene sheets: unrestricted DFT and complete active space calculations
Ana E. Torres, Reyes Flores, Lioudmila Fomina & Serguei Fomine
Pages: 1512-1518
Published online: 19 Sep 2016
AbstractforElectronic structure of boron-doped finite graphene sheets: unrestricted DFT and complete active space calculations | Full Text | References | PDF (786.8 KB)
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Article
Theoretical study of chemisorption of cyanuric fluoride and S-triazine on the surface of Al-doped graphene
Ali Shokuhi Rad, Samaneh Alijantabar Aghouzi, Nazanin Motaghedi, Sina Maleki & Majid Peyravi
Pages: 1519-1527
Published online: 19 Sep 2016
AbstractforTheoretical study of chemisorption of cyanuric fluoride and S-triazine on the surface of Al-doped graphene | Full Text | References | PDF (1.4 MB)
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Article
Simple combined explicit/implicit water model
F. V. Grigoriev & V. B. Sulimov
Pages: 1528-1534
Published online: 22 Sep 2016
AbstractforSimple combined explicit/implicit water model | Full Text | References | PDF (913.5 KB)
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Article
Molecular dynamics simulation of fluid properties by the streamwise oscillation of the solid wall
Mingming Shan, Haijun Dong, Fei Deng, Haopeng Zhang & Xiaoqing Lu
Pages: 1535-1540
Published online: 26 Sep 2016
AbstractforMolecular dynamics simulation of fluid properties by the streamwise oscillation of the solid wall | Full Text | References | PDF (741.9 KB)
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Erratum

Correction
Accelerating the weighted histogram analysis method by direct inversion in the iterative subspace
Page: 1541
Published online: 16 Nov 2016
CitationforAccelerating the weighted histogram analysis method by direct inversion in the iterative subspace | Full Text | PDF (42.7 KB)
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Free Access
Correction
Models for recovering the energy landscape of conformational transitions from single-molecule pulling experiments
Page: 1542
Published online: 16 Nov 2016
CitationforModels for recovering the energy landscape of conformational transitions from single-molecule pulling experiments | Full Text | PDF (43.7 KB)
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Free Access

Editorial Board

Editorial board
Page: ebi
Published online: 16 Nov 2016
CitationforEditorial board | Full Text | PDF (37.5 KB)
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