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The Journal of Physical Chemistry Letters
|
April 22, 2020
Ionization of Water as an Effect of Quantum Delocalization at Aqueous Electrode Interfaces
Jinggang Lan, Vladimir V Rybkin, Marcella Iannuzzi
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 11, 2021
Surface tension of liquids and binary mixtures from molecular dynamics simulations
Michela Pauletti, Vladimir V Rybkin, Marcella Iannuzzi
Chimia
|
June 1, 2026
Delta-Augmented Subsystem Density Functional Theory: A Study Across Diverse Systems
Michela Pauletti, Marcella Iannuzzi, Vladimir V Rybkin
Chimia
|
November 23, 2019
[Co<sup>II</sup>(BPyPy₂COH)(OH₂)₂]<sup>2+</sup>: A Catalytic Pourbaix Diagram and AIMD Simulations on Four Key Intermediates
Roger Alberto, Marcella Iannuzzi, Yeliz Gurdal, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 15, 2007
Towards a rational design of ruthenium CO2 hydrogenation catalysts by Ab initio metadynamics
Atsushi Urakawa, Marcella Iannuzzi, Jürg Hutter, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 13, 2015
Non-innocent adsorption of Co-pyrphyrin on rutile(110)
Yeliz Gurdal, Sandra Luber, Jürg Hutter, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 13, 2004
Azulene-to-naphthalene rearrangement: the Car-Parrinello metadynamics method explores various reaction mechanisms
András Stirling, Marcella Iannuzzi, Alessandro Laio, et al.
Physical Review Letters
|
July 22, 2017
Determining Potentials of Zero Charge of Metal Electrodes versus the Standard Hydrogen Electrode from Density-Functional-Theory-Based Molecular Dynamics
Jiabo Le, Marcella Iannuzzi, Angel Cuesta, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 1, 2008
Adsorption of naphthalene and quinoline on Pt, Pd and Rh: a DFT study
Gianluca Santarossa, Marcella Iannuzzi, Angelo Vargas, et al.
Nanoscale
|
May 20, 2020
Ab initio nanofluidics: disentangling the role of the energy landscape and of density correlations on liquid/solid friction
Gabriele Tocci, Maria Bilichenko, Laurent Joly, et al.
Page
of 11
Search research articles
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Showing results (21-30 of 103) with videos related to
Sort By:
Page
of 11
The Journal of Physical Chemistry Letters
|
April 22, 2020
Ionization of Water as an Effect of Quantum Delocalization at Aqueous Electrode Interfaces
Jinggang Lan, Vladimir V Rybkin, Marcella Iannuzzi
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 11, 2021
Surface tension of liquids and binary mixtures from molecular dynamics simulations
Michela Pauletti, Vladimir V Rybkin, Marcella Iannuzzi
Chimia
|
June 1, 2026
Delta-Augmented Subsystem Density Functional Theory: A Study Across Diverse Systems
Michela Pauletti, Marcella Iannuzzi, Vladimir V Rybkin
Chimia
|
November 23, 2019
[Co<sup>II</sup>(BPyPy₂COH)(OH₂)₂]<sup>2+</sup>: A Catalytic Pourbaix Diagram and AIMD Simulations on Four Key Intermediates
Roger Alberto, Marcella Iannuzzi, Yeliz Gurdal, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 15, 2007
Towards a rational design of ruthenium CO2 hydrogenation catalysts by Ab initio metadynamics
Atsushi Urakawa, Marcella Iannuzzi, Jürg Hutter, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 13, 2015
Non-innocent adsorption of Co-pyrphyrin on rutile(110)
Yeliz Gurdal, Sandra Luber, Jürg Hutter, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 13, 2004
Azulene-to-naphthalene rearrangement: the Car-Parrinello metadynamics method explores various reaction mechanisms
András Stirling, Marcella Iannuzzi, Alessandro Laio, et al.
Physical Review Letters
|
July 22, 2017
Determining Potentials of Zero Charge of Metal Electrodes versus the Standard Hydrogen Electrode from Density-Functional-Theory-Based Molecular Dynamics
Jiabo Le, Marcella Iannuzzi, Angel Cuesta, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 1, 2008
Adsorption of naphthalene and quinoline on Pt, Pd and Rh: a DFT study
Gianluca Santarossa, Marcella Iannuzzi, Angelo Vargas, et al.
Nanoscale
|
May 20, 2020
Ab initio nanofluidics: disentangling the role of the energy landscape and of density correlations on liquid/solid friction
Gabriele Tocci, Maria Bilichenko, Laurent Joly, et al.
Page
of 11