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Proceedings of the National Academy of Sciences of the United States of America
|
January 19, 2017
Polymeric phase V of carbon dioxide has not been recovered at ambient pressure and has a unique structure
Frédéric Datchi, Mathieu Moog, Fabio Pietrucci, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2024
Correction to "Step by Step Strecker Amino Acid Synthesis from Ab Initio Prebiotic Chemistry"
Léon Huet, Théo Magrino, Fabio Pietrucci, et al.
The Journal of Physical Chemistry. A
|
November 17, 2022
Critical Assessment of Data-Driven versus Heuristic Reaction Coordinates in Solution Chemistry
Théo Magrino, Léon Huet, A Marco Saitta, et al.
The Journal of Physical Chemistry Letters
|
August 19, 2024
A New Route to the Prebiotic Synthesis of Glycine via <i>Ab Initio</i>-Based Machine Learning Calculations
Léon Huet, Timothée Devergne, Théo Magrino, et al.
Physical Review Letters
|
April 12, 2006
Efficient approach to time-dependent density-functional perturbation theory for optical spectroscopy
Brent Walker, A Marco Saitta, Ralph Gebauer, et al.
Physical Review. E
|
October 19, 2024
Efficient machine learning approach for accurate free-energy profiles and kinetic rates
Timothée Devergne, Leon Huet, Fabio Pietrucci, et al.
Physical Review Letters
|
November 13, 2009
Structure of carbon dioxide phase IV: breakdown of the intermediate bonding state scenario
Frédéric Datchi, Valentina M Giordano, Pascal Munsch, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
May 23, 2006
Entropy-based measure of structural order in water
Rubens Esposito, Franz Saija, A Marco Saitta, et al.
Scientific Reports
|
July 31, 2014
Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations
Zamaan Raza, Ion Errea, Artem R Oganov, et al.
The Journal of Chemical Physics
|
May 6, 2025
Free energy profiles for chemical reactions in solution from high-dimensional neural network potentials: The case of the Strecker synthesis
Alea Miako Tokita, Timothée Devergne, A Marco Saitta, et al.
Page
of 5
Search research articles
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Showing results (11-20 of 45) with videos related to
Sort By:
Page
of 5
Proceedings of the National Academy of Sciences of the United States of America
|
January 19, 2017
Polymeric phase V of carbon dioxide has not been recovered at ambient pressure and has a unique structure
Frédéric Datchi, Mathieu Moog, Fabio Pietrucci, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2024
Correction to "Step by Step Strecker Amino Acid Synthesis from Ab Initio Prebiotic Chemistry"
Léon Huet, Théo Magrino, Fabio Pietrucci, et al.
The Journal of Physical Chemistry. A
|
November 17, 2022
Critical Assessment of Data-Driven versus Heuristic Reaction Coordinates in Solution Chemistry
Théo Magrino, Léon Huet, A Marco Saitta, et al.
The Journal of Physical Chemistry Letters
|
August 19, 2024
A New Route to the Prebiotic Synthesis of Glycine via <i>Ab Initio</i>-Based Machine Learning Calculations
Léon Huet, Timothée Devergne, Théo Magrino, et al.
Physical Review Letters
|
April 12, 2006
Efficient approach to time-dependent density-functional perturbation theory for optical spectroscopy
Brent Walker, A Marco Saitta, Ralph Gebauer, et al.
Physical Review. E
|
October 19, 2024
Efficient machine learning approach for accurate free-energy profiles and kinetic rates
Timothée Devergne, Leon Huet, Fabio Pietrucci, et al.
Physical Review Letters
|
November 13, 2009
Structure of carbon dioxide phase IV: breakdown of the intermediate bonding state scenario
Frédéric Datchi, Valentina M Giordano, Pascal Munsch, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
May 23, 2006
Entropy-based measure of structural order in water
Rubens Esposito, Franz Saija, A Marco Saitta, et al.
Scientific Reports
|
July 31, 2014
Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations
Zamaan Raza, Ion Errea, Artem R Oganov, et al.
The Journal of Chemical Physics
|
May 6, 2025
Free energy profiles for chemical reactions in solution from high-dimensional neural network potentials: The case of the Strecker synthesis
Alea Miako Tokita, Timothée Devergne, A Marco Saitta, et al.
Page
of 5