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Physical Review Letters
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March 14, 2003
Adsorption of Xe atoms on metal surfaces: new insights from first-principles calculations
Juarez L F Da Silva, Catherine Stampfl, Matthias Scheffler
The Journal of Chemical Physics
|
September 18, 2023
Recent advances in the SISSO method and their implementation in the SISSO++ code
Thomas A R Purcell, Matthias Scheffler, Luca M Ghiringhelli
Physical Review Letters
|
October 15, 2008
Influence of the core-valence interaction and of the pseudopotential approximation on the electron self-energy in semiconductors
Ricardo Gómez-Abal, Xinzheng Li, Matthias Scheffler, et al.
Physical Review Letters
|
October 23, 2012
Density-functional theory for f-electron systems: the α-γ phase transition in cerium
Marco Casadei, Xinguo Ren, Patrick Rinke, et al.
Physical Review Letters
|
October 15, 2013
Stability and metastability of clusters in a reactive atmosphere: theoretical evidence for unexpected stoichiometries of MgMOx
Saswata Bhattacharya, Sergey V Levchenko, Luca M Ghiringhelli, et al.
The Journal of Chemical Physics
|
June 8, 2007
Does phenomenological kinetics provide an adequate description of heterogeneous catalytic reactions?
Burcin Temel, Hakim Meskine, Karsten Reuter, et al.
Physical Review Letters
|
June 24, 2023
Anharmonicity in Thermal Insulators: An Analysis from First Principles
Florian Knoop, Thomas A R Purcell, Matthias Scheffler, et al.
Journal of the American Chemical Society
|
December 8, 2005
Structural transitions in the polyalanine alpha-helix under uniaxial strain
Joel Ireta, Jörg Neugebauer, Matthias Scheffler, et al.
Physical Review Letters
|
November 13, 2009
Partial dissociation of water on Fe3O4(001): adsorbate induced charge and orbital order
Narasimham Mulakaluri, Rossitza Pentcheva, Maria Wieland, et al.
The Journal of Chemical Physics
|
September 11, 2009
Dispersion-corrected Møller-Plesset second-order perturbation theory
Alexandre Tkatchenko, Robert A DiStasio, Martin Head-Gordon, et al.
Page
of 21
Search research articles
Search
Showing results (51-60 of 207) with videos related to
Sort By:
Page
of 21
Physical Review Letters
|
March 14, 2003
Adsorption of Xe atoms on metal surfaces: new insights from first-principles calculations
Juarez L F Da Silva, Catherine Stampfl, Matthias Scheffler
The Journal of Chemical Physics
|
September 18, 2023
Recent advances in the SISSO method and their implementation in the SISSO++ code
Thomas A R Purcell, Matthias Scheffler, Luca M Ghiringhelli
Physical Review Letters
|
October 15, 2008
Influence of the core-valence interaction and of the pseudopotential approximation on the electron self-energy in semiconductors
Ricardo Gómez-Abal, Xinzheng Li, Matthias Scheffler, et al.
Physical Review Letters
|
October 23, 2012
Density-functional theory for f-electron systems: the α-γ phase transition in cerium
Marco Casadei, Xinguo Ren, Patrick Rinke, et al.
Physical Review Letters
|
October 15, 2013
Stability and metastability of clusters in a reactive atmosphere: theoretical evidence for unexpected stoichiometries of MgMOx
Saswata Bhattacharya, Sergey V Levchenko, Luca M Ghiringhelli, et al.
The Journal of Chemical Physics
|
June 8, 2007
Does phenomenological kinetics provide an adequate description of heterogeneous catalytic reactions?
Burcin Temel, Hakim Meskine, Karsten Reuter, et al.
Physical Review Letters
|
June 24, 2023
Anharmonicity in Thermal Insulators: An Analysis from First Principles
Florian Knoop, Thomas A R Purcell, Matthias Scheffler, et al.
Journal of the American Chemical Society
|
December 8, 2005
Structural transitions in the polyalanine alpha-helix under uniaxial strain
Joel Ireta, Jörg Neugebauer, Matthias Scheffler, et al.
Physical Review Letters
|
November 13, 2009
Partial dissociation of water on Fe3O4(001): adsorbate induced charge and orbital order
Narasimham Mulakaluri, Rossitza Pentcheva, Maria Wieland, et al.
The Journal of Chemical Physics
|
September 11, 2009
Dispersion-corrected Møller-Plesset second-order perturbation theory
Alexandre Tkatchenko, Robert A DiStasio, Martin Head-Gordon, et al.
Page
of 21