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G Henkelman

Showing results (1-10 of 7) with videos related to

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Physical Review Letters|February 15, 2001
Theoretical calculations of dissociative adsorption of CH4 on an Ir(111) surfaceG Henkelman, H Jónsson
Journal of Physics. Condensed Matter : an Institute of Physics Journal|August 6, 2011
A grid-based Bader analysis algorithm without lattice biasW 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 SimulationsJ 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 statesR 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 studyE 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 MgOB 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 germaniumA Fantasia, F Rovaris, O Abou El Kheir, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
Physical Review Letters|February 15, 2001
Theoretical calculations of dissociative adsorption of CH4 on an Ir(111) surfaceG Henkelman, H Jónsson
Journal of Physics. Condensed Matter : an Institute of Physics Journal|August 6, 2011
A grid-based Bader analysis algorithm without lattice biasW 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 SimulationsJ 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 statesR 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 studyE 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 MgOB 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 germaniumA Fantasia, F Rovaris, O Abou El Kheir, et al.
Pageof 1