Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Xavier Rozanska

Showing results (11-20 of 21) with videos related to

Pageof 3
Sort By:
Physical Chemistry Chemical Physics : PCCP|September 26, 2015
Grafting trimethylaluminum and its halogen derivatives on silica: general trends for (27)Al SS-NMR response from first principles calculationsRachel Nathaniel Kerber, Torsten Kerber, Xavier Rozanska, et al.
Physical Chemistry Chemical Physics : PCCP|May 13, 2016
The mechanism of the initial step of germanosilicate formation in solution: a first-principles molecular dynamics studyThuat T Trinh, Xavier Rozanska, Françoise Delbecq, et al.
Journal of Computational Chemistry|January 25, 2013
QMX: a versatile environment for hybrid calculations applied to the grafting of Al2Cl3Me3 on a silica surfaceTorsten Kerber, Rachel Nathaniel Kerber, Xavier Rozanska, et al.
Journal of Computational Chemistry|August 21, 2012
Accelerating VASP electronic structure calculations using graphic processing unitsMohamed Hacene, Ani Anciaux-Sedrakian, Xavier Rozanska, et al.
The Journal of Physical Chemistry. B|November 10, 2023
Inhibition of Aqueous Chemical Reactions by Strong Liquid Structure Makers: Experimental Demonstration with Amides and Acid-Base ReactionsFrédérick de Meyer, Eric Cloarec, Xavier Rozanska, et al.
Physical Chemistry Chemical Physics : PCCP|August 11, 2011
Polyoxometalate grafting onto silica: stability diagrams of H3PMo12O40 on {001}, {101}, and {111} β-cristobalite surfaces analyzed by DFTXavier Rozanska, Philippe Sautet, Françoise Delbecq, et al.
Journal of the American Chemical Society|March 24, 2012
Nature and structure of aluminum surface sites grafted on silica from a combination of high-field aluminum-27 solid-state NMR spectroscopy and first-principles calculationsRachel Nathaniel Kerber, Anthony Kermagoret, Emmanuel Callens, et al.
Chemical Reviews|December 2, 2015
A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory PurposesCarlos Nieto-Draghi, Guillaume Fayet, Benoit Creton, et al.
Communications Chemistry|January 25, 2023
Computational screening methodology identifies effective solvents for CO<sub>2</sub> captureAlexey A Orlov, Alain Valtz, Christophe Coquelet, et al.
Dalton Transactions (Cambridge, England : 2003)|May 30, 2013
Triisobutylaluminum: bulkier and yet more reactive towards silica surfaces than triethyl or trimethylaluminumAnthony Kermagoret, Rachel Nathaniel Kerber, Matthew P Conley, et al.
Pageof 3

Showing results (11-20 of 21) with videos related to

Sort By:
Pageof 3
Physical Chemistry Chemical Physics : PCCP|September 26, 2015
Grafting trimethylaluminum and its halogen derivatives on silica: general trends for (27)Al SS-NMR response from first principles calculationsRachel Nathaniel Kerber, Torsten Kerber, Xavier Rozanska, et al.
Physical Chemistry Chemical Physics : PCCP|May 13, 2016
The mechanism of the initial step of germanosilicate formation in solution: a first-principles molecular dynamics studyThuat T Trinh, Xavier Rozanska, Françoise Delbecq, et al.
Journal of Computational Chemistry|January 25, 2013
QMX: a versatile environment for hybrid calculations applied to the grafting of Al2Cl3Me3 on a silica surfaceTorsten Kerber, Rachel Nathaniel Kerber, Xavier Rozanska, et al.
Journal of Computational Chemistry|August 21, 2012
Accelerating VASP electronic structure calculations using graphic processing unitsMohamed Hacene, Ani Anciaux-Sedrakian, Xavier Rozanska, et al.
The Journal of Physical Chemistry. B|November 10, 2023
Inhibition of Aqueous Chemical Reactions by Strong Liquid Structure Makers: Experimental Demonstration with Amides and Acid-Base ReactionsFrédérick de Meyer, Eric Cloarec, Xavier Rozanska, et al.
Physical Chemistry Chemical Physics : PCCP|August 11, 2011
Polyoxometalate grafting onto silica: stability diagrams of H3PMo12O40 on {001}, {101}, and {111} β-cristobalite surfaces analyzed by DFTXavier Rozanska, Philippe Sautet, Françoise Delbecq, et al.
Journal of the American Chemical Society|March 24, 2012
Nature and structure of aluminum surface sites grafted on silica from a combination of high-field aluminum-27 solid-state NMR spectroscopy and first-principles calculationsRachel Nathaniel Kerber, Anthony Kermagoret, Emmanuel Callens, et al.
Chemical Reviews|December 2, 2015
A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory PurposesCarlos Nieto-Draghi, Guillaume Fayet, Benoit Creton, et al.
Communications Chemistry|January 25, 2023
Computational screening methodology identifies effective solvents for CO<sub>2</sub> captureAlexey A Orlov, Alain Valtz, Christophe Coquelet, et al.
Dalton Transactions (Cambridge, England : 2003)|May 30, 2013
Triisobutylaluminum: bulkier and yet more reactive towards silica surfaces than triethyl or trimethylaluminumAnthony Kermagoret, Rachel Nathaniel Kerber, Matthew P Conley, et al.
Pageof 3