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The Journal of Physical Chemistry. A
|
January 11, 2014
Validation challenge of density-functional theory for peptides-example of Ac-Phe-Ala5-LysH(+)
Mariana Rossi, Sucismita Chutia, Matthias Scheffler, et al.
The Journal of Chemical Physics
|
August 6, 2022
Beyond GGA total energies for solids and surfaces
Andrea Zen, Andreas Grüneis, Dario Alfè, et al.
Journal of Chemical Theory and Computation
|
October 20, 2021
Learning Electron Densities in the Condensed Phase
Alan M Lewis, Andrea Grisafi, Michele Ceriotti, et al.
Journal of Chemical Theory and Computation
|
December 1, 2022
Electronic-Structure Properties from Atom-Centered Predictions of the Electron Density
Andrea Grisafi, Alan M Lewis, Mariana Rossi, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
July 24, 2013
Role of methyl-induced polarization in ion binding
Mariana Rossi, Alexandre Tkatchenko, Susan B Rempe, et al.
Journal of the American Chemical Society
|
January 17, 2019
Elucidating the Nuclear Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene
Yair Litman, Jeremy O Richardson, Takashi Kumagai, et al.
Journal of Chemical Information and Modeling
|
April 8, 2026
aims-PAX: Parallel Active Exploration Enables Expedited Construction of Machine Learning Force Fields for Molecules and Materials
Tobias Henkes, Shubham Sharma, Alexandre Tkatchenko, et al.
Revista Da Associacao Medica Brasileira (1992)
|
July 16, 2013
Anxiety symptoms in crack cocaine and inhalant users admitted to a psychiatric hospital in southern Brazil
Carlos Zubaran, Katia Foresti, Mariana Rossi Thorell, et al.
The Journal of Physical Chemistry Letters
|
January 25, 2019
Real-Space Observation of Quantum Tunneling by a Carbon Atom: Flipping Reaction of Formaldehyde on Cu(110)
Chenfang Lin, Emile Durant, Mats Persson, et al.
Physical Review Letters
|
April 8, 2011
Unraveling the stability of polypeptide helices: critical role of van der Waals interactions
Alexandre Tkatchenko, Mariana Rossi, Volker Blum, et al.
Page
of 7
Search research articles
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Showing results (21-30 of 65) with videos related to
Sort By:
Page
of 7
The Journal of Physical Chemistry. A
|
January 11, 2014
Validation challenge of density-functional theory for peptides-example of Ac-Phe-Ala5-LysH(+)
Mariana Rossi, Sucismita Chutia, Matthias Scheffler, et al.
The Journal of Chemical Physics
|
August 6, 2022
Beyond GGA total energies for solids and surfaces
Andrea Zen, Andreas Grüneis, Dario Alfè, et al.
Journal of Chemical Theory and Computation
|
October 20, 2021
Learning Electron Densities in the Condensed Phase
Alan M Lewis, Andrea Grisafi, Michele Ceriotti, et al.
Journal of Chemical Theory and Computation
|
December 1, 2022
Electronic-Structure Properties from Atom-Centered Predictions of the Electron Density
Andrea Grisafi, Alan M Lewis, Mariana Rossi, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
July 24, 2013
Role of methyl-induced polarization in ion binding
Mariana Rossi, Alexandre Tkatchenko, Susan B Rempe, et al.
Journal of the American Chemical Society
|
January 17, 2019
Elucidating the Nuclear Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene
Yair Litman, Jeremy O Richardson, Takashi Kumagai, et al.
Journal of Chemical Information and Modeling
|
April 8, 2026
aims-PAX: Parallel Active Exploration Enables Expedited Construction of Machine Learning Force Fields for Molecules and Materials
Tobias Henkes, Shubham Sharma, Alexandre Tkatchenko, et al.
Revista Da Associacao Medica Brasileira (1992)
|
July 16, 2013
Anxiety symptoms in crack cocaine and inhalant users admitted to a psychiatric hospital in southern Brazil
Carlos Zubaran, Katia Foresti, Mariana Rossi Thorell, et al.
The Journal of Physical Chemistry Letters
|
January 25, 2019
Real-Space Observation of Quantum Tunneling by a Carbon Atom: Flipping Reaction of Formaldehyde on Cu(110)
Chenfang Lin, Emile Durant, Mats Persson, et al.
Physical Review Letters
|
April 8, 2011
Unraveling the stability of polypeptide helices: critical role of van der Waals interactions
Alexandre Tkatchenko, Mariana Rossi, Volker Blum, et al.
Page
of 7