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ACS Nano
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January 24, 2013
MSi₂₀H₂₀ aggregates: from simple building blocks to highly magnetic functionalized materials
Dennis Palagin, Karsten Reuter
Angewandte Chemie (International Ed. in English)
|
April 1, 2014
Modeling heat dissipation at the nanoscale: an embedding approach for chemical reaction dynamics on metal surfaces
Jörg Meyer, Karsten Reuter
The Journal of Chemical Physics
|
December 3, 2015
Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO2(111)
Tongyu Wang, Karsten Reuter
Physical Review Letters
|
February 7, 2003
First-principles atomistic thermodynamics for oxidation catalysis: surface phase diagrams and catalytically interesting regions
Karsten Reuter, Matthias Scheffler
The Journal of Physical Chemistry Letters
|
August 18, 2015
Efficient Calculation of Microscopic Dissolution Rate Constants: The Aspirin-Water Interface
Julian Schneider, Karsten Reuter
Accounts of Chemical Research
|
June 3, 2021
Adsorption Enthalpies for Catalysis Modeling through Machine-Learned Descriptors
Mie Andersen, Karsten Reuter
Angewandte Chemie (International Ed. in English)
|
January 27, 2011
Semiempirical rate constants for complex chemical kinetics: first-principles assessment and rational refinement
Matteo Maestri, Karsten Reuter
The Journal of Chemical Physics
|
August 2, 2013
First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalysts
Harald Oberhofer, Karsten Reuter
The Journal of Chemical Physics
|
December 16, 2011
Assessing computationally efficient isomerization dynamics: ΔSCF density-functional theory study of azobenzene molecular switching
Reinhard J Maurer, Karsten Reuter
Nature Communications
|
January 13, 2021
Pure non-local machine-learned density functional theory for electron correlation
Johannes T Margraf, Karsten Reuter
Page
of 18
Search research articles
Search
Showing results (1-10 of 179) with videos related to
Sort By:
Page
of 18
ACS Nano
|
January 24, 2013
MSi₂₀H₂₀ aggregates: from simple building blocks to highly magnetic functionalized materials
Dennis Palagin, Karsten Reuter
Angewandte Chemie (International Ed. in English)
|
April 1, 2014
Modeling heat dissipation at the nanoscale: an embedding approach for chemical reaction dynamics on metal surfaces
Jörg Meyer, Karsten Reuter
The Journal of Chemical Physics
|
December 3, 2015
Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO2(111)
Tongyu Wang, Karsten Reuter
Physical Review Letters
|
February 7, 2003
First-principles atomistic thermodynamics for oxidation catalysis: surface phase diagrams and catalytically interesting regions
Karsten Reuter, Matthias Scheffler
The Journal of Physical Chemistry Letters
|
August 18, 2015
Efficient Calculation of Microscopic Dissolution Rate Constants: The Aspirin-Water Interface
Julian Schneider, Karsten Reuter
Accounts of Chemical Research
|
June 3, 2021
Adsorption Enthalpies for Catalysis Modeling through Machine-Learned Descriptors
Mie Andersen, Karsten Reuter
Angewandte Chemie (International Ed. in English)
|
January 27, 2011
Semiempirical rate constants for complex chemical kinetics: first-principles assessment and rational refinement
Matteo Maestri, Karsten Reuter
The Journal of Chemical Physics
|
August 2, 2013
First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalysts
Harald Oberhofer, Karsten Reuter
The Journal of Chemical Physics
|
December 16, 2011
Assessing computationally efficient isomerization dynamics: ΔSCF density-functional theory study of azobenzene molecular switching
Reinhard J Maurer, Karsten Reuter
Nature Communications
|
January 13, 2021
Pure non-local machine-learned density functional theory for electron correlation
Johannes T Margraf, Karsten Reuter
Page
of 18