Molecular Simulation, Volume 33, Issue 15 (2007)

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

Molecular Simulation, Volume 33, Issue 15 (2007)

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 Vol 37, 2011 Vol 36, 2010 Vol 35, 2009 Vol 34, 2008 Volume 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

Original Articles

Article
The individual and mean activity coefficients of an electrolyte from the inverse GCMC simulation
Research Article
S. Lamperski
Pages: 1193-1198
Published online: 27 Jul 2010
AbstractforThe individual and mean activity coefficients of an electrolyte from the inverse GCMC simulation | Full Text | References | PDF (146.6 KB)
  • 271 Views
  • 49 CrossRef citations
  • 0Altmetric
Article
Generation of initial molecular dynamics configurations in arbitrary geometries and in parallel
G. B. Macpherson, M. K. Borg & J. M. Reese
Pages: 1199-1212
Published online: 27 Jul 2010
AbstractforGeneration of initial molecular dynamics configurations in arbitrary geometries and in parallel | Full Text | References | PDF (1 MB)
  • 181 Views
  • 16 CrossRef citations
  • 0Altmetric
Article
QSAR study of substituted 1-(2-naphthyl)-1H-pyrazole-5-carboxylamide factor Xa (fXa) inhibitors
X. Ma & L. Zhou
Pages: 1213-1222
Published online: 27 Jul 2010
AbstractforQSAR study of substituted 1-(2-naphthyl)-1H-pyrazole-5-carboxylamide factor Xa (fXa) inhibitors | Full Text | References | PDF (366.7 KB)
  • 40 Views
  • 1 CrossRef citations
  • 0Altmetric
Article
Examination of nanoflow in rectangular slits
W. Zhang & D. Xia
Pages: 1223-1228
Published online: 27 Jul 2010
AbstractforExamination of nanoflow in rectangular slits | Full Text | References | PDF (286.2 KB)
  • 57 Views
  • 2 CrossRef citations
  • 0Altmetric
Article
New software for finding transition states by probing accessible, or ergodic, regions
S. M. Woodley & A. M. Walker
Pages: 1229-1231
Published online: 27 Jul 2010
AbstractforNew software for finding transition states by probing accessible, or ergodic, regions | Full Text | References | PDF (1.1 MB)
  • 45 Views
  • 7 CrossRef citations
  • 0Altmetric
Article
Modification to Lees–Edwards periodic boundary condition for dissipative particle dynamics simulation with high dissipation rates
A. Chatterjee
Pages: 1233-1236
Published online: 27 Jul 2010
AbstractforModification to Lees–Edwards periodic boundary condition for dissipative particle dynamics simulation with high dissipation rates | Full Text | References | PDF (238.9 KB)
  • 442 Views
  • 28 CrossRef citations
  • 0Altmetric
Article
An efficient technique for the prediction of solvent-dependent morphology: the COSMIC method
J. D. Gale, A. L. Rohl &
Pages: 1237-1246
Published online: 27 Jul 2010
AbstractforAn efficient technique for the prediction of solvent-dependent morphology: the COSMIC method | Full Text | References | PDF (117 KB)
  • 250 Views
  • 24 CrossRef citations
  • 0Altmetric
Article
Monte Carlo simulation of the adsorption of C2–C7 linear alkanes in aluminophosphate AlPO4-11
D. Zhang, Z. Liu, R. Xu &
Pages: 1247-1253
Published online: 27 Jul 2010
AbstractforMonte Carlo simulation of the adsorption of C2–C7 linear alkanes in aluminophosphate AlPO4-11 | Full Text | References | PDF (260.9 KB)
  • 60 Views
  • 4 CrossRef citations
  • 0Altmetric
Article
Molecular dynamics simulation of inorganic ions in PEO aqueous solution
Z. Tao, P. T. Cummings &
Pages: 1255-1260
Published online: 27 Jul 2010
AbstractforMolecular dynamics simulation of inorganic ions in PEO aqueous solution | Full Text | References | PDF (153.5 KB)
  • 228 Views
  • 8 CrossRef citations
  • 0Altmetric
Article
Accurate computation of shear viscosity from equilibrium molecular dynamics simulations
D. Nevins & F. J. Spera
Pages: 1261-1266
Published online: 27 Jul 2010
AbstractforAccurate computation of shear viscosity from equilibrium molecular dynamics simulations | Full Text | References | PDF (119.8 KB)
  • 1400 Views
  • 67 CrossRef citations
  • 0Altmetric
Article
Homodesmotic reactions in helicene and phenacene molecules
U. Miranda & R. Salcedo
Pages: 1267-1271
Published online: 27 Jul 2010
AbstractforHomodesmotic reactions in helicene and phenacene molecules | Full Text | References | PDF (161.6 KB)
  • 100 Views
  • 1 CrossRef citations
  • 0Altmetric

Explore articles