Ion aggregation in concentrated aqueous and methanol solutions of polyoxometallates Keggin anions: the effect of counterions investigated by molecular dynamics simulations

Alain Chaumont; Georges Wipff

doi:10.1039/b810440a

Ion aggregation in concentrated aqueous and methanol solutions of polyoxometallates Keggin anions: the effect of counterions investigated by molecular dynamics simulations

Physical Chemistry Chemical Physics ◽

10.1039/b810440a ◽

2008 ◽

Vol 10 (46) ◽

pp. 6940 ◽

Cited By ~ 49

Author(s):

Alain Chaumont ◽

Georges Wipff

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Methanol Solutions ◽

Keggin Anions ◽

Dynamics Simulations

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Microheterogeneities in Ionic-Liquid-Methanol Solutions Studied by FTIR Spectroscopy, DFT Calculations and Molecular Dynamics Simulations

ChemPhysChem ◽

10.1002/cphc.201101022 ◽

2012 ◽

Vol 13 (7) ◽

pp. 1708-1717 ◽

Cited By ~ 35

Author(s):

Christian Roth ◽

Andreas Appelhagen ◽

Niels Jobst ◽

Ralf Ludwig

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Dft Calculations ◽

Molecular Dynamics Simulations ◽

Ftir Spectroscopy ◽

Methanol Solutions ◽

Dynamics Simulations

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Interfacial Structure, Thermodynamics, and Electrostatics of Aqueous Methanol Solutions via Molecular Dynamics Simulations Using Charge Equilibration Models

The Journal of Physical Chemistry B ◽

10.1021/jp900446f ◽

2009 ◽

Vol 113 (27) ◽

pp. 9241-9254 ◽

Cited By ~ 16

Author(s):

Sandeep Patel ◽

Yang Zhong ◽

Brad A. Bauer ◽

Joseph E. Davis

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Interfacial Structure ◽

Aqueous Methanol ◽

Charge Equilibration ◽

Methanol Solutions ◽

Dynamics Simulations ◽

Aqueous Methanol Solutions

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Dynamics and structure of nickel chloride–methanol solutions: quasi-elastic neutron scattering and molecular dynamics simulations

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/19/41/415120 ◽

2007 ◽

Vol 19 (41) ◽

pp. 415120 ◽

Cited By ~ 3

Author(s):

Ashok K Adya ◽

Oleg N Kalugin ◽

W Spencer Howells

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Molecular Dynamics Simulations ◽

Nickel Chloride ◽

Elastic Neutron ◽

Methanol Solutions ◽

Elastic Neutron Scattering ◽

Dynamics Simulations

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Cited By ~ 1

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Cited By ~ 27

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Liquid Alkanes

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Molecular Dynamics Simulations of Retrograde Condensation in Nanoporous Shale

Proceedings of the 3rd Unconventional Resources Technology Conference ◽

10.15530/urtec-2015-2172738 ◽

2015 ◽

Cited By ~ 1

Author(s):

William R. Welch ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Retrograde Condensation ◽

Dynamics Simulations

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MOLECULAR DYNAMICS SIMULATIONS OF RAYLEIGH AND FIRST WIND-INDUCED BREAKUP

Atomization and Sprays ◽

10.1615/atomizspr.2011002906 ◽

2011 ◽

Vol 21 (4) ◽

pp. 275-281 ◽

Cited By ~ 4

Author(s):

Kurt F. Ludwig ◽

Michael Micci

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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