On the Characterization of Inhomogeneity of the Density Distribution in Supercritical Fluids via Molecular Dynamics Simulation and Data Mining Analysis
Idrissi, Abdenacer, Vyalov, Ivan, Georgi, Nikolaj, Kiselev, Michael
Published in The journal of physical chemistry. B (10.10.2013)
Published in The journal of physical chemistry. B (10.10.2013)
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Implicit solvent methods for free energy estimation
Decherchi, Sergio, Masetti, Matteo, Vyalov, Ivan, Rocchia, Walter
Published in European journal of medicinal chemistry (16.02.2015)
Published in European journal of medicinal chemistry (16.02.2015)
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Detailed insight into the hydrogen bonding interactions in acetone-methanol mixtures. A molecular dynamics simulation and Voronoi polyhedra analysis study
IDRISSI, Abdenacer, POLOK, Kamil, GADOMSKI, W, VYALOV, Ivan, AGAPOV, Alexander, KISELEV, M, BARJ, Mohamed, JEDLOVSZKY, Pál
Published in Physical chemistry chemical physics : PCCP (07.05.2012)
Published in Physical chemistry chemical physics : PCCP (07.05.2012)
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Assessment of the potential models of acetone/CO2 and ethanol/CO2 mixtures by computer simulation and thermodynamic integration in liquid and supercritical states
Idrissi, Abdenacer, Vyalov, Ivan, Kiselev, Mikhail, Jedlovszky, Pál
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
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Assessment of the potential models of acetone/C02 and ethanol/C02 mixtures by computer simulation and thermodynamic integration in liquid and supercritical states
IDRISSI, Abdenacer, VYALOV, Ivan, KISELEV, Mikhail, JEDLOVSZKY, Pál
Published in Physical chemistry chemical physics : PCCP (2011)
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Published in Physical chemistry chemical physics : PCCP (2011)
Journal Article
Detailed insight into the hydrogen bonding interactions in acetonemethanol mixtures. A molecular dynamics simulation and Voronoi polyhedra analysis study
Idrissi, Abdenacer, Polok, Kamil, Gadomski, W, Vyalov, Ivan, Agapov, Alexander, Kiselev, M, Barj, Mohamed, Jedlovszky, Pl
Year of Publication 04.04.2012
Year of Publication 04.04.2012
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