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Journal of Computational Chemistry
|
March 11, 2004
Car-Parrinello simulations with a real space method
Rochus Schmid
ACS Central Science
|
June 3, 2017
An Electric Field Induced Breath for Metal-Organic Frameworks
Rochus Schmid
The Journal of Physical Chemistry. A
|
July 13, 2006
Gas phase chemistry in gallium nitride CVD: Theoretical determination of the Arrhenius parameters for the first Ga-C bond homolysis of trimethylgallium
Rochus Schmid, Daniel Basting
Journal of Chemical Theory and Computation
|
December 4, 2015
A Consistent Force Field for the Carboxylate Group
Maxim Tafipolsky, Rochus Schmid
The Journal of Chemical Physics
|
May 13, 2006
A general and efficient pseudopotential Fourier filtering scheme for real space methods using mask functions
Maxim Tafipolsky, Rochus Schmid
Journal of the American Chemical Society
|
August 30, 2008
An accurate force field model for the strain energy analysis of the covalent organic framework COF-102
Rochus Schmid, Maxim Tafipolsky
Faraday Discussions
|
July 21, 2018
TopoFF: MOF structure prediction using specifically optimized blueprints
Julian Keupp, Rochus Schmid
The Journal of Chemical Physics
|
April 24, 2023
Computing chemical potentials of adsorbed or confined fluids
Rochus Schmid, Bingqing Cheng
Communications Chemistry
|
October 29, 2023
Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites
Larissa Schaper, Rochus Schmid
The Journal of Physical Chemistry. B
|
January 13, 2009
Systematic first principles parameterization of force fields for metal-organic frameworks using a genetic algorithm approach
Maxim Tafipolsky, Rochus Schmid
Page
of 6
Search research articles
Search
Showing results (1-10 of 57) with videos related to
Sort By:
Page
of 6
Journal of Computational Chemistry
|
March 11, 2004
Car-Parrinello simulations with a real space method
Rochus Schmid
ACS Central Science
|
June 3, 2017
An Electric Field Induced Breath for Metal-Organic Frameworks
Rochus Schmid
The Journal of Physical Chemistry. A
|
July 13, 2006
Gas phase chemistry in gallium nitride CVD: Theoretical determination of the Arrhenius parameters for the first Ga-C bond homolysis of trimethylgallium
Rochus Schmid, Daniel Basting
Journal of Chemical Theory and Computation
|
December 4, 2015
A Consistent Force Field for the Carboxylate Group
Maxim Tafipolsky, Rochus Schmid
The Journal of Chemical Physics
|
May 13, 2006
A general and efficient pseudopotential Fourier filtering scheme for real space methods using mask functions
Maxim Tafipolsky, Rochus Schmid
Journal of the American Chemical Society
|
August 30, 2008
An accurate force field model for the strain energy analysis of the covalent organic framework COF-102
Rochus Schmid, Maxim Tafipolsky
Faraday Discussions
|
July 21, 2018
TopoFF: MOF structure prediction using specifically optimized blueprints
Julian Keupp, Rochus Schmid
The Journal of Chemical Physics
|
April 24, 2023
Computing chemical potentials of adsorbed or confined fluids
Rochus Schmid, Bingqing Cheng
Communications Chemistry
|
October 29, 2023
Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites
Larissa Schaper, Rochus Schmid
The Journal of Physical Chemistry. B
|
January 13, 2009
Systematic first principles parameterization of force fields for metal-organic frameworks using a genetic algorithm approach
Maxim Tafipolsky, Rochus Schmid
Page
of 6