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Journal of Chemical Theory and Computation
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January 1, 2019
Chemically Accurate Adsorption Energies: CO and H<sub>2</sub>O on the MgO(001) Surface
Maristella Alessio, Denis Usvyat, Joachim Sauer
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2007
Theoretical studies of Cu(I) sites in faujasite and their interaction with carbon monoxide
Pawel Rejmak, Marek Sierka, Joachim Sauer
The Journal of Physical Chemistry Letters
|
December 8, 2022
Dual-Site Model for <i>Ab Initio</i> Calculations of Gibbs Free Energies and Enthalpies of Adsorption: Methane in Zeolite Mobile Five (H-MFI)
Marcin Rybicki, Kaido Sillar, Joachim Sauer
Chemical Science
|
June 14, 2021
Predicting adsorption selectivities from pure gas isotherms for gas mixtures in metal-organic frameworks
Arpan Kundu, Kaido Sillar, Joachim Sauer
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2016
Water adsorption and O-defect formation on Fe<sub>2</sub>O<sub>3</sub>(0001) surfaces
Roman Ovcharenko, Elena Voloshina, Joachim Sauer
Journal of the American Chemical Society
|
May 16, 2014
Size-dependent catalytic activity of supported vanadium oxide species: oxidative dehydrogenation of propane
Xavier Rozanska, Remy Fortrie, Joachim Sauer
The Journal of Physical Chemistry Letters
|
June 7, 2017
Ab Initio Prediction of Adsorption Isotherms for Gas Mixtures by Grand Canonical Monte Carlo Simulations on a Lattice of Sites
Arpan Kundu, Kaido Sillar, Joachim Sauer
Journal of the American Chemical Society
|
August 4, 2005
Oxidation of methanol to formaldehyde on supported vanadium oxide catalysts compared to gas phase molecules
Jens Döbler, Marc Pritzsche, Joachim Sauer
The Journal of Physical Chemistry. B
|
July 21, 2006
Reduction of the (001) surface of gamma-V2O5 compared to alpha-V2O5
M Veronica Ganduglia-Pirovano, Joachim Sauer
Journal of Computational Chemistry
|
July 17, 2008
Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory
Torsten Kerber, Marek Sierka, Joachim Sauer
Page
of 14
Search research articles
Search
Showing results (21-30 of 131) with videos related to
Sort By:
Page
of 14
Journal of Chemical Theory and Computation
|
January 1, 2019
Chemically Accurate Adsorption Energies: CO and H<sub>2</sub>O on the MgO(001) Surface
Maristella Alessio, Denis Usvyat, Joachim Sauer
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2007
Theoretical studies of Cu(I) sites in faujasite and their interaction with carbon monoxide
Pawel Rejmak, Marek Sierka, Joachim Sauer
The Journal of Physical Chemistry Letters
|
December 8, 2022
Dual-Site Model for <i>Ab Initio</i> Calculations of Gibbs Free Energies and Enthalpies of Adsorption: Methane in Zeolite Mobile Five (H-MFI)
Marcin Rybicki, Kaido Sillar, Joachim Sauer
Chemical Science
|
June 14, 2021
Predicting adsorption selectivities from pure gas isotherms for gas mixtures in metal-organic frameworks
Arpan Kundu, Kaido Sillar, Joachim Sauer
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2016
Water adsorption and O-defect formation on Fe<sub>2</sub>O<sub>3</sub>(0001) surfaces
Roman Ovcharenko, Elena Voloshina, Joachim Sauer
Journal of the American Chemical Society
|
May 16, 2014
Size-dependent catalytic activity of supported vanadium oxide species: oxidative dehydrogenation of propane
Xavier Rozanska, Remy Fortrie, Joachim Sauer
The Journal of Physical Chemistry Letters
|
June 7, 2017
Ab Initio Prediction of Adsorption Isotherms for Gas Mixtures by Grand Canonical Monte Carlo Simulations on a Lattice of Sites
Arpan Kundu, Kaido Sillar, Joachim Sauer
Journal of the American Chemical Society
|
August 4, 2005
Oxidation of methanol to formaldehyde on supported vanadium oxide catalysts compared to gas phase molecules
Jens Döbler, Marc Pritzsche, Joachim Sauer
The Journal of Physical Chemistry. B
|
July 21, 2006
Reduction of the (001) surface of gamma-V2O5 compared to alpha-V2O5
M Veronica Ganduglia-Pirovano, Joachim Sauer
Journal of Computational Chemistry
|
July 17, 2008
Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory
Torsten Kerber, Marek Sierka, Joachim Sauer
Page
of 14