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Faraday Discussions
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March 20, 2014
The liquid-liquid transition in supercooled ST2 water: a comparison between umbrella sampling and well-tempered metadynamics
Jeremy C Palmer, Roberto Car, Pablo G Debenedetti
The Journal of Physical Chemistry. B
|
April 11, 2023
Molecular Rotations, Multiscale Order, Hyperuniformity, and Signatures of Metastability during the Compression/Decompression Cycles of Amorphous Ices
Maud Formanek, Salvatore Torquato, Roberto Car, et al.
Journal of the American Chemical Society
|
December 18, 2003
Role of ligand bending in the photodissociation of O2 vs CO-heme: a time-dependent density functional study
Filippo De Angelis, Roberto Car, Thomas G Spiro
The Journal of Physical Chemistry. B
|
July 21, 2006
Role of molecular conjugation in the surface radical reaction of aldehydes with H-Si(111): first principles study
Yosuke Kanai, Noboru Takeuchi, Roberto Car, et al.
The Journal of Chemical Physics
|
November 14, 2025
Infrared spectral signatures of interfacial water at TiO2-electrolyte interfaces from deep potential molecular dynamics
Chunyi Zhang, Zheng Yu, Roberto Car, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 20, 2025
Tuning water dissociation at oxide-electrolyte interfaces with electric fields
Chunyi Zhang, Zheng Yu, Roberto Car, et al.
The Journal of Physical Chemistry. B
|
October 12, 2023
Neural Network Water Model Based on the MB-Pol Many-Body Potential
Maria Carolina Muniz, Roberto Car, Athanassios Z Panagiotopoulos
Physical Review Letters
|
June 25, 2021
Phase Diagram of a Deep Potential Water Model
Linfeng Zhang, Han Wang, Roberto Car, et al.
The Journal of Chemical Physics
|
December 28, 2006
Testing the TPSS meta-generalized-gradient-approximation exchange-correlation functional in calculations of transition states and reaction barriers
Yosuke Kanai, Xiaofei Wang, Annabella Selloni, et al.
The Journal of Physical Chemistry. A
|
February 14, 2009
Charge transfer in partition theory
Morrel H Cohen, Adam Wasserman, Roberto Car, et al.
Page
of 13
Search research articles
Search
Showing results (31-40 of 122) with videos related to
Sort By:
Page
of 13
Faraday Discussions
|
March 20, 2014
The liquid-liquid transition in supercooled ST2 water: a comparison between umbrella sampling and well-tempered metadynamics
Jeremy C Palmer, Roberto Car, Pablo G Debenedetti
The Journal of Physical Chemistry. B
|
April 11, 2023
Molecular Rotations, Multiscale Order, Hyperuniformity, and Signatures of Metastability during the Compression/Decompression Cycles of Amorphous Ices
Maud Formanek, Salvatore Torquato, Roberto Car, et al.
Journal of the American Chemical Society
|
December 18, 2003
Role of ligand bending in the photodissociation of O2 vs CO-heme: a time-dependent density functional study
Filippo De Angelis, Roberto Car, Thomas G Spiro
The Journal of Physical Chemistry. B
|
July 21, 2006
Role of molecular conjugation in the surface radical reaction of aldehydes with H-Si(111): first principles study
Yosuke Kanai, Noboru Takeuchi, Roberto Car, et al.
The Journal of Chemical Physics
|
November 14, 2025
Infrared spectral signatures of interfacial water at TiO2-electrolyte interfaces from deep potential molecular dynamics
Chunyi Zhang, Zheng Yu, Roberto Car, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 20, 2025
Tuning water dissociation at oxide-electrolyte interfaces with electric fields
Chunyi Zhang, Zheng Yu, Roberto Car, et al.
The Journal of Physical Chemistry. B
|
October 12, 2023
Neural Network Water Model Based on the MB-Pol Many-Body Potential
Maria Carolina Muniz, Roberto Car, Athanassios Z Panagiotopoulos
Physical Review Letters
|
June 25, 2021
Phase Diagram of a Deep Potential Water Model
Linfeng Zhang, Han Wang, Roberto Car, et al.
The Journal of Chemical Physics
|
December 28, 2006
Testing the TPSS meta-generalized-gradient-approximation exchange-correlation functional in calculations of transition states and reaction barriers
Yosuke Kanai, Xiaofei Wang, Annabella Selloni, et al.
The Journal of Physical Chemistry. A
|
February 14, 2009
Charge transfer in partition theory
Morrel H Cohen, Adam Wasserman, Roberto Car, et al.
Page
of 13