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Anesthetic molecules embedded in a lipid membrane: a computer simulation study

Physical chemistry chemical physics : PCCP, 2012-10, Vol.14 (37), p.12956-12969

2012

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Determination of the Adsorption Isotherm of Methanol on the Surface of Ice. An Experimental and Grand Canonical Monte Carlo Simulation Study

Journal of the American Chemical Society, 2006-11, Vol.128 (47), p.15300-15309

2006

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Water adsorption isotherms on porous onionlike carbonaceous particles. Simulations with the grand canonical Monte Carlo method

The Journal of chemical physics, 2010-10, Vol.133 (14), p.144702-144702-12

2010

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Investigation of the adsorption behaviour of acetone at the surface of ice. A grand canonical Monte Carlo simulation study

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (42), p.6369-6380

2008

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Adsorption of water molecules on partially oxidized graphite surfaces : a molecular dynamics study of the competition between OH and COOH sites

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (46), p.6998-7009

2008

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Adsorption of Benzaldehyde at the Surface of Ice, Studied by Experimental Method and Computer Simulation

Langmuir, 2010-06, Vol.26 (12), p.9596-9606

2010

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Adsorption Isotherm of Formic Acid on the Surface of Ice, as Seen from Experiments and Grand Canonical Monte Carlo Simulation

Journal of physical chemistry. C, 2008-06, Vol.112 (24), p.8976-8987

2008

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Calculation of the Adsorption Isotherm of Formaldehyde on Ice by Grand Canonical Monte Carlo Simulation

Journal of physical chemistry. C, 2007-09, Vol.111 (38), p.14170-14178

2007

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The ice-vapor interface and the melting point of ice Ih for the polarizable POL3 water model

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-06, Vol.115, p.5973-5982

2011

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Free-Energy Profile of Small Solute Molecules at the Free Surfaces of Water and Ice, as Determined by Cavity Insertion Widom Calculations

Journal of physical chemistry. C, 2007-07, Vol.111 (26), p.9407-9416

2007

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Molecular Dynamics Simulation Study of Water Adsorption on Hydroxylated Graphite Surfaces

The journal of physical chemistry. B, 2006-04, Vol.110 (16), p.8398-8408

2006

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A possible mechanism for pressure reversal of general anaesthetics from molecular simulations

Chemical physics letters, 2007-04, Vol.438 (4), p.294-297

2007

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Theoretical Study of the Adsorption of Water on a Model Soot Surface: II. Molecular Dynamics Simulations

The journal of physical chemistry. B, 2004-04, Vol.108 (17), p.5410-5415

2004

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Theoretical Study of the Adsorption of Water on a Model Soot Surface: I. Quantum Chemical Calculations

The journal of physical chemistry. B, 2004-04, Vol.108 (17), p.5405-5409

2004

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A grand canonical Monte-Carlo simulation study of water adsorption on a model soot particle

Molecular simulation, 2006-06, Vol.32 (7), p.487-493

2006

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Water monolayers on MgO(100): structural investigations by LEED experiments, tensor LEED dynamical analysis and potential calculations

Surface science, 1998-06, Vol.409 (1), p.101-116

1998

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A new semi-empirical model for the oxidation of PAHs physisorbed on soot. I. Application to the reaction C6H6 + OH

Molecular simulation, 2009-10, Vol.35 (12-13), p.1130-1139

2009

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Structure and dynamics of ice Ih films upon HCl adsorption between 190 and 270 K. II. Molecular dynamics simulations

The Journal of chemical physics, 2002-03, Vol.116 (12), p.5150-5157

2002

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The structure of the c(4×2) CO/MgO( [formula omitted]) monolayer revisited by neutron diffraction

Surface science, 2001-12, Vol.494 (3), p.206-212

2001

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A semi-empirical potential model for calculating interactions between large aromatic molecules and graphite surfaces

Journal of molecular structure. Theochem, 2006, Vol.772, p.1-12

2006

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Structure and dynamics of ice Ih films upon HCl adsorption between 190 and 270 K. I. Neutron diffraction and quasielastic neutron scattering experiments

The Journal of chemical physics, 2002-03, Vol.116 (12), p.5143-5149

2002

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Dynamics of ice layers deposited on MgO(001): Quasielastic neutron scattering experiments and molecular dynamics simulations

The Journal of chemical physics, 2001-04, Vol.114 (14), p.6371-6381

2001

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Anesthetic molecules embedded in a lipid membrane: a computer simulation study

Determination of the Adsorption Isotherm of Methanol on the Surface of Ice. An Experimental and Grand Canonical Monte Carlo Simulation Study

Water adsorption isotherms on porous onionlike carbonaceous particles. Simulations with the grand canonical Monte Carlo method

Investigation of the adsorption behaviour of acetone at the surface of ice. A grand canonical Monte Carlo simulation study

Adsorption of water molecules on partially oxidized graphite surfaces : a molecular dynamics study of the competition between OH and COOH sites

Adsorption of Benzaldehyde at the Surface of Ice, Studied by Experimental Method and Computer Simulation

Adsorption Isotherm of Formic Acid on the Surface of Ice, as Seen from Experiments and Grand Canonical Monte Carlo Simulation

Calculation of the Adsorption Isotherm of Formaldehyde on Ice by Grand Canonical Monte Carlo Simulation

The ice-vapor interface and the melting point of ice Ih for the polarizable POL3 water model

Free-Energy Profile of Small Solute Molecules at the Free Surfaces of Water and Ice, as Determined by Cavity Insertion Widom Calculations

Molecular Dynamics Simulation Study of Water Adsorption on Hydroxylated Graphite Surfaces

A possible mechanism for pressure reversal of general anaesthetics from molecular simulations

Theoretical Study of the Adsorption of Water on a Model Soot Surface: II. Molecular Dynamics Simulations

Theoretical Study of the Adsorption of Water on a Model Soot Surface: I. Quantum Chemical Calculations

A grand canonical Monte-Carlo simulation study of water adsorption on a model soot particle

Water monolayers on MgO(100): structural investigations by LEED experiments, tensor LEED dynamical analysis and potential calculations

A new semi-empirical model for the oxidation of PAHs physisorbed on soot. I. Application to the reaction C6H6 + OH

Structure and dynamics of ice Ih films upon HCl adsorption between 190 and 270 K. II. Molecular dynamics simulations

The structure of the c(4×2) CO/MgO( [formula omitted]) monolayer revisited by neutron diffraction

A semi-empirical potential model for calculating interactions between large aromatic molecules and graphite surfaces

Structure and dynamics of ice Ih films upon HCl adsorption between 190 and 270 K. I. Neutron diffraction and quasielastic neutron scattering experiments

Dynamics of ice layers deposited on MgO(001): Quasielastic neutron scattering experiments and molecular dynamics simulations

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