Molecular Simulation, Volume 37, Issue 8 (2011)

Browse this journal
Sample our Computer Science journals, sign in here to start your access, latest two full volumes FREE to you for 14 days

Molecular Simulation, Volume 37, Issue 8 (2011)

See all volumes and issues
Vol 50, 2024 Vol 49, 2023 Vol 48, 2022 Vol 47, 2021 Vol 46, 2020 Vol 45, 2019 Vol 44, 2018 Vol 43, 2017 Vol 42, 2016 Vol 41, 2015 Vol 40, 2014 Vol 39, 2013 Vol 38, 2012 Volume 37, 2011 Vol 36, 2010 Vol 35, 2009 Vol 34, 2008 Vol 33, 2007 Vol 32, 2006 Vol 31, 2005 Vol 30, 2004 Vol 29, 2003 Vol 28, 2002 Vol 27, 2001 Vol 26, 2001 Vol 25, 2000 Vol 24, 2000 Vol 23, 1999-2000 Vol 22, 1999 Vol 21, 1998-1999 Vol 20, 1997-1998 Vol 19, 1997 Vol 18, 1996-1997 Vol 17, 1996 Vol 16, 1996 Vol 15, 1995 Vol 14, 1994-1995 Vol 13, 1994 Vol 12, 1994 Vol 11, 1993 Vol 10, 1993 Vol 9, 1992-1993 Vol 8, 1991-1992 Vol 7, 1991 Vol 6, 1991 Vol 5, 1990-1991 Vol 4, 1989-1990 Vol 3, 1989 Vol 2, 1989 Vol 1, 1987-1988
Download citations Download PDFs Download issue

Nanotech 09-10. Guest Editor Fiona Case

Guest Editorial

Editorial
Nanotechnology and molecular simulation
Fiona Case
Page: 647
Published online: 04 Jul 2011
CitationforNanotechnology and molecular simulation | Full Text | PDF (36.1 KB)
  • 175 Views
  • 0 CrossRef citations
  • 0Altmetric

Original Articles

Article
First-principles study of CO oxidation on bismuth-promoted Pt(111) surfaces
Neeti Kapur, Bin Shan, Jangsuk Hyun, Ligen Wang, Sang Yang, John B. Nicholas & Kyeongjae Cho
Pages: 648-658
Published online: 28 Apr 2011
AbstractforFirst-principles study of CO oxidation on bismuth-promoted Pt(111) surfaces | Full Text | References | PDF (392.1 KB)
  • 342 Views
  • 8 CrossRef citations
  • 0Altmetric
Article
The influence of surface termination on the growth of copper clusters
Li Xiao, Jayashree Srinivasan & Lalitha Subramanian
Pages: 659-662
Published online: 04 Jul 2011
AbstractforThe influence of surface termination on the growth of copper clusters | Full Text | References | PDF (142.5 KB)
  • 90 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Optimising the platinum–carbon bond in nitrogen-doped single-walled carbon nanotubes
M. N. Groves, A. S.W. Chan, C. Malardier-Jugroot & M. Jugroot
Pages: 663-669
Published online: 13 Apr 2010
AbstractforOptimising the platinum–carbon bond in nitrogen-doped single-walled carbon nanotubes | Full Text | References | PDF (376.5 KB)
  • 167 Views
  • 3 CrossRef citations
  • 0Altmetric
Article
IR, Raman and UV–vis spectra of the Ru(II) cyano complexes studied by DFT
B. Minaev, V. Minaeva, G. Baryshnikov, M. Girtu & H. Agren
Pages: 670-677
Published online: 17 Feb 2011
AbstractforIR, Raman and UV–vis spectra of the Ru(II) cyano complexes studied by DFT | Full Text | References | PDF (168.5 KB)
  • 366 Views
  • 5 CrossRef citations
  • 0Altmetric
Article
Transition from exo to endo Cu absorption in CuSin clusters: a genetic algorithms density functional theory study
Ofelia B. Oña, Marta B. Ferraro & Julio C. Facelli
Pages: 678-688
Published online: 18 Feb 2011
AbstractforTransition from exo to endo Cu absorption in CuSin clusters: a genetic algorithms density functional theory study | Full Text | References | PDF (541.8 KB)
  • 95 Views
  • 2 CrossRef citations
  • 0Altmetric
Article
Critical currents in graphene ribbon Josephson's junctions
P. G. Gabrielli
Pages: 689-693
Published online: 04 Jul 2011
AbstractforCritical currents in graphene ribbon Josephson's junctions | Full Text | References | PDF (101.3 KB)
  • 158 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Synthesis of polypyrrole under confinement in aqueous environment
Xia Li & Cecile Malardier-Jugroot
Pages: 694-700
Published online: 04 Jul 2011
AbstractforSynthesis of polypyrrole under confinement in aqueous environment | Full Text | References | PDF (271.7 KB)
  • 140 Views
  • 5 CrossRef citations
  • 0Altmetric
Article
Self-assembly of alternating copolymers and the role of hydrophobic interactions: characterisation by molecular modelling
Anita S.W. Chan, Michael Groves & Cecile Malardier-Jugroot
Pages: 701-709
Published online: 13 Apr 2010
AbstractforSelf-assembly of alternating copolymers and the role of hydrophobic interactions: characterisation by molecular modelling | Full Text | References | PDF (539.8 KB)
  • 291 Views
  • 13 CrossRef citations
  • 0Altmetric
Article
Multiscale perspectives of interface delamination in microelectronic packaging applications
Nancy Iwamoto, Ole Hölck & Sander Noijen
Pages: 710-717
Published online: 04 Jul 2011
AbstractforMultiscale perspectives of interface delamination in microelectronic packaging applications | Full Text | References | PDF (373.2 KB)
  • 181 Views
  • 11 CrossRef citations
  • 0Altmetric
Article
3D-RISM-KH approach for biomolecular modelling at nanoscale: thermodynamics of fibril formation and beyond
Nikolay Blinov, Lyudmyla Dorosh, David Wishart & Andriy Kovalenko
Pages: 718-728
Published online: 25 Mar 2011
Abstractfor3D-RISM-KH approach for biomolecular modelling at nanoscale: thermodynamics of fibril formation and beyond | Full Text | References | PDF (393.8 KB)
  • 154 Views
  • 16 CrossRef citations
  • 0Altmetric
Article
Identification of dynamic structural domains in proteins, analysis of local bond flexibility and application for interpretation of NMR experiments
Maria Stepanova
Pages: 729-732
Published online: 25 Sep 2009
AbstractforIdentification of dynamic structural domains in proteins, analysis of local bond flexibility and application for interpretation of NMR experiments | Full Text | References | PDF (127 KB)
  • 98 Views
  • 3 CrossRef citations
  • 0Altmetric
Article
Slip boundary conditions in nanofluidics from the molecular theory of solvation
A. E. Kobryn & A. Kovalenko
Pages: 733-737
Published online: 04 Jul 2011
AbstractforSlip boundary conditions in nanofluidics from the molecular theory of solvation | Full Text | References | PDF (97.6 KB)
  • 162 Views
  • 5 CrossRef citations
  • 0Altmetric
Article
A higher-order accurate fluid-particle algorithm for polymer flows
B. Kallemov, G. H. Miller & D. Trebotich
Pages: 738-745
Published online: 25 Mar 2011
AbstractforA higher-order accurate fluid-particle algorithm for polymer flows | Full Text | References | PDF (181.9 KB)
  • 69 Views
  • 2 CrossRef citations
  • 0Altmetric

Explore articles