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Accounts of Chemical Research
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March 20, 2002
Quantum theory of dissociative chemisorption on metal surfaces
Geert-Jan Kroes, Axel Gross, Evert-Jan Baerends, et al.
Nature Communications
|
September 5, 2020
Identifying domains of applicability of machine learning models for materials science
Christopher Sutton, Mario Boley, Luca M Ghiringhelli, et al.
Lung Cancer (Amsterdam, Netherlands)
|
August 21, 2021
On target: Rational approaches to KRAS inhibition for treatment of non-small cell lung carcinoma
Colin R Lindsay, Marina C Garassino, Ernest Nadal, et al.
Physical Review Letters
|
August 12, 2022
Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites
Lucas Foppa, Thomas A R Purcell, Sergey V Levchenko, et al.
Journal of Chemical Theory and Computation
|
February 4, 2025
Finite-Size Effects in Periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit
Evgeny Moerman, Alejandro Gallo, Andreas Irmler, et al.
Angewandte Chemie (International Ed. in English)
|
May 23, 2003
Surface coordination chemistry: dihydrogen versus hydride complexes on RuO2(110)
Jinhai Wang, Chao Yang Fan, Qiang Sun, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 9, 2005
Density of configurational states from first-principles calculations: the phase diagram of Al-Na surface alloys
Mikael Borg, Catherine Stampfl, Anders Mikkelsen, et al.
Physical Review Letters
|
August 29, 2014
Bond breaking and bond formation: how electron correlation is captured in many-body perturbation theory and density-functional theory
Fabio Caruso, Daniel R Rohr, Maria Hellgren, et al.
Physical Review Letters
|
March 14, 2003
Adatom kinetics on and below the surface: the existence of a new diffusion channel
Jörg Neugebauer, Tosja K Zywietz, Matthias Scheffler, et al.
Physical Review Letters
|
August 25, 2004
Structure determination of isolated metal clusters via far-infrared spectroscopy
André Fielicke, Andrei Kirilyuk, Christian Ratsch, et al.
Page
of 21
Search research articles
Search
Showing results (81-90 of 207) with videos related to
Sort By:
Page
of 21
Accounts of Chemical Research
|
March 20, 2002
Quantum theory of dissociative chemisorption on metal surfaces
Geert-Jan Kroes, Axel Gross, Evert-Jan Baerends, et al.
Nature Communications
|
September 5, 2020
Identifying domains of applicability of machine learning models for materials science
Christopher Sutton, Mario Boley, Luca M Ghiringhelli, et al.
Lung Cancer (Amsterdam, Netherlands)
|
August 21, 2021
On target: Rational approaches to KRAS inhibition for treatment of non-small cell lung carcinoma
Colin R Lindsay, Marina C Garassino, Ernest Nadal, et al.
Physical Review Letters
|
August 12, 2022
Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites
Lucas Foppa, Thomas A R Purcell, Sergey V Levchenko, et al.
Journal of Chemical Theory and Computation
|
February 4, 2025
Finite-Size Effects in Periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit
Evgeny Moerman, Alejandro Gallo, Andreas Irmler, et al.
Angewandte Chemie (International Ed. in English)
|
May 23, 2003
Surface coordination chemistry: dihydrogen versus hydride complexes on RuO2(110)
Jinhai Wang, Chao Yang Fan, Qiang Sun, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 9, 2005
Density of configurational states from first-principles calculations: the phase diagram of Al-Na surface alloys
Mikael Borg, Catherine Stampfl, Anders Mikkelsen, et al.
Physical Review Letters
|
August 29, 2014
Bond breaking and bond formation: how electron correlation is captured in many-body perturbation theory and density-functional theory
Fabio Caruso, Daniel R Rohr, Maria Hellgren, et al.
Physical Review Letters
|
March 14, 2003
Adatom kinetics on and below the surface: the existence of a new diffusion channel
Jörg Neugebauer, Tosja K Zywietz, Matthias Scheffler, et al.
Physical Review Letters
|
August 25, 2004
Structure determination of isolated metal clusters via far-infrared spectroscopy
André Fielicke, Andrei Kirilyuk, Christian Ratsch, et al.
Page
of 21