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The Journal of Physical Chemistry. B|February 14, 2006
Molecular dynamics simulations of electron-alkali cation pairs in bulk waterFrançois-Xavier Coudert, Pierre Archirel, Anne Boutin
Chemical Communications (Cambridge, England)|April 23, 2014
Prediction of flexibility of metal-organic frameworks CAU-13 and NOTT-300 by first principles molecular simulationsAurélie U Ortiz, Anne Boutin, François-Xavier Coudert
The Journal of Chemical Physics|July 23, 2004
Molecular dynamics simulations of the Ag+ or Na+ cation with an excess electron in bulk waterRiccardo Spezia, Cédric Nicolas, Pierre Archirel, et al.
Physical Review Letters|December 20, 2003
Molecular dynamics simulations of a silver atom in water: evidence for a dipolar excitonic stateRiccardo Spezia, Cédric Nicolas, Anne Boutin, et al.
Physical Chemistry Chemical Physics : PCCP|October 9, 2013
Investigation of structure and dynamics of the hydrated metal-organic framework MIL-53(Cr) using first-principles molecular dynamicsVolker Haigis, François-Xavier Coudert, Rodolphe Vuilleumier, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|May 22, 2018
Structure and Dynamics of Water Confined in Imogolite NanotubesLaura Scalfi, Guillaume Fraux, Anne Boutin, et al.
The Journal of Physical Chemistry. B|April 7, 2009
Transferable force field for alcohols and polyalcoholsNicolas Ferrando, Véronique Lachet, Jean-Marie Teuler, et al.
The Journal of Physical Chemistry. B|April 6, 2018
Structure and Dynamics of Solvated Polymers near a Silica Surface: On the Different Roles Played by SolventElsa Perrin, Martin Schoen, François-Xavier Coudert, et al.
Soft Matter|January 12, 2017
Transport and adsorption under liquid flow: the role of pore geometryJean-Mathieu Vanson, Anne Boutin, Michaela Klotz, et al.
Chemical Society Reviews|October 21, 2017
Forced intrusion of water and aqueous solutions in microporous materials: from fundamental thermodynamics to energy storage devicesGuillaume Fraux, François-Xavier Coudert, Anne Boutin, et al.
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