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The Journal of Physical Chemistry Letters
|
January 2, 2016
Hydrothermal Breakdown of Flexible Metal-Organic Frameworks: A Study by First-Principles Molecular Dynamics
Volker Haigis, François-Xavier Coudert, Rodolphe Vuilleumier, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 29, 2011
Thermodynamic methods and models to study flexible metal-organic frameworks
François-Xavier Coudert, Anne Boutin, Marie Jeffroy, et al.
Journal of the American Chemical Society
|
September 30, 2008
Thermodynamics of guest-induced structural transitions in hybrid organic-inorganic frameworks
François-Xavier Coudert, Marie Jeffroy, Alain H Fuchs, et al.
The Journal of Chemical Physics
|
November 21, 2012
Understanding adsorption-induced structural transitions in metal-organic frameworks: from the unit cell to the crystal
Carles Triguero, François-Xavier Coudert, Anne Boutin, et al.
Journal of the American Chemical Society
|
July 19, 2014
Remarkable pressure responses of metal-organic frameworks: proton transfer and linker coiling in zinc alkyl gates
Aurélie U Ortiz, Anne Boutin, Kevin J Gagnon, et al.
The Journal of Chemical Physics
|
December 21, 2004
Monte Carlo versus molecular dynamics simulations in heterogeneous systems: an application to the n-pentane liquid-vapor interface
Florent Goujon, Patrice Malfreyt, Jean-Marc Simon, et al.
The Journal of Physical Chemistry. B
|
August 2, 2011
A transferable force field to predict phase equilibria and surface tension of ethers and glycol ethers
Nicolas Ferrando, Véronique Lachet, Javier Pérez-Pellitero, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 23, 2007
Methodology for the calculation of the potential of mean force for a cation-pi complex in water
Aziz Ghoufi, Pierre Archirel, Jean-Pierre Morel, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 22, 2014
What makes zeolitic imidazolate frameworks hydrophobic or hydrophilic? The impact of geometry and functionalization on water adsorption
Aurélie U Ortiz, Alexy P Freitas, Anne Boutin, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
November 30, 2011
Predicting mixture coadsorption in soft porous crystals: experimental and theoretical Study of CO2/CH4 in MIL-53(Al)
Aurélie U Ortiz, Marie-Anne Springuel-Huet, François-Xavier Coudert, et al.
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of 5
Search research articles
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Showing results (31-40 of 47) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry Letters
|
January 2, 2016
Hydrothermal Breakdown of Flexible Metal-Organic Frameworks: A Study by First-Principles Molecular Dynamics
Volker Haigis, François-Xavier Coudert, Rodolphe Vuilleumier, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 29, 2011
Thermodynamic methods and models to study flexible metal-organic frameworks
François-Xavier Coudert, Anne Boutin, Marie Jeffroy, et al.
Journal of the American Chemical Society
|
September 30, 2008
Thermodynamics of guest-induced structural transitions in hybrid organic-inorganic frameworks
François-Xavier Coudert, Marie Jeffroy, Alain H Fuchs, et al.
The Journal of Chemical Physics
|
November 21, 2012
Understanding adsorption-induced structural transitions in metal-organic frameworks: from the unit cell to the crystal
Carles Triguero, François-Xavier Coudert, Anne Boutin, et al.
Journal of the American Chemical Society
|
July 19, 2014
Remarkable pressure responses of metal-organic frameworks: proton transfer and linker coiling in zinc alkyl gates
Aurélie U Ortiz, Anne Boutin, Kevin J Gagnon, et al.
The Journal of Chemical Physics
|
December 21, 2004
Monte Carlo versus molecular dynamics simulations in heterogeneous systems: an application to the n-pentane liquid-vapor interface
Florent Goujon, Patrice Malfreyt, Jean-Marc Simon, et al.
The Journal of Physical Chemistry. B
|
August 2, 2011
A transferable force field to predict phase equilibria and surface tension of ethers and glycol ethers
Nicolas Ferrando, Véronique Lachet, Javier Pérez-Pellitero, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 23, 2007
Methodology for the calculation of the potential of mean force for a cation-pi complex in water
Aziz Ghoufi, Pierre Archirel, Jean-Pierre Morel, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 22, 2014
What makes zeolitic imidazolate frameworks hydrophobic or hydrophilic? The impact of geometry and functionalization on water adsorption
Aurélie U Ortiz, Alexy P Freitas, Anne Boutin, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
November 30, 2011
Predicting mixture coadsorption in soft porous crystals: experimental and theoretical Study of CO2/CH4 in MIL-53(Al)
Aurélie U Ortiz, Marie-Anne Springuel-Huet, François-Xavier Coudert, et al.
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of 5