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Physical Review Letters
|
February 15, 2001
Theoretical calculations of dissociative adsorption of CH4 on an Ir(111) surface
G Henkelman, H Jónsson
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 6, 2011
A grid-based Bader analysis algorithm without lattice bias
W Tang, E Sanville, G Henkelman
Annual Review of Analytical Chemistry (Palo Alto, Calif.)
|
January 31, 2019
Solving the Structure and Dynamics of Metal Nanoparticles by Combining X-Ray Absorption Fine Structure Spectroscopy and Atomistic Structure Simulations
J Timoshenko, Z Duan, G Henkelman, et al.
The Journal of Chemical Physics
|
November 20, 2004
Comparison of methods for finding saddle points without knowledge of the final states
R A Olsen, G J Kroes, G Henkelman, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 9, 2017
Mechanistic insights on ethanol dehydrogenation on Pd-Au model catalysts: a combined experimental and DFT study
E J Evans, H Li, Wen-Yueh Yu, et al.
Physical Review Letters
|
April 20, 2004
Structure and mobility of defects formed from collision cascades in MgO
B P Uberuaga, R Smith, A R Cleave, et al.
The Journal of Chemical Physics
|
July 2, 2024
Development of a machine learning interatomic potential for exploring pressure-dependent kinetics of phase transitions in germanium
A Fantasia, F Rovaris, O Abou El Kheir, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Physical Review Letters
|
February 15, 2001
Theoretical calculations of dissociative adsorption of CH4 on an Ir(111) surface
G Henkelman, H Jónsson
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 6, 2011
A grid-based Bader analysis algorithm without lattice bias
W Tang, E Sanville, G Henkelman
Annual Review of Analytical Chemistry (Palo Alto, Calif.)
|
January 31, 2019
Solving the Structure and Dynamics of Metal Nanoparticles by Combining X-Ray Absorption Fine Structure Spectroscopy and Atomistic Structure Simulations
J Timoshenko, Z Duan, G Henkelman, et al.
The Journal of Chemical Physics
|
November 20, 2004
Comparison of methods for finding saddle points without knowledge of the final states
R A Olsen, G J Kroes, G Henkelman, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 9, 2017
Mechanistic insights on ethanol dehydrogenation on Pd-Au model catalysts: a combined experimental and DFT study
E J Evans, H Li, Wen-Yueh Yu, et al.
Physical Review Letters
|
April 20, 2004
Structure and mobility of defects formed from collision cascades in MgO
B P Uberuaga, R Smith, A R Cleave, et al.
The Journal of Chemical Physics
|
July 2, 2024
Development of a machine learning interatomic potential for exploring pressure-dependent kinetics of phase transitions in germanium
A Fantasia, F Rovaris, O Abou El Kheir, et al.
Page
of 1