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Clotilde S Cucinotta

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Physical Review Letters|December 21, 2011
Hydrogen oxidation reaction at the Ni/YSZ anode of solid oxide fuel cells from first principlesClotilde S Cucinotta, Marco Bernasconi, Michele Parrinello
Nanoscale|February 20, 2024
A computational model for a molecular chemical sensorMengxuan Li, Clotilde S Cucinotta, Andrew P Horsfield
The Journal of Physical Chemistry Letters|April 29, 2024
Revealing Interface Polarization Effects on the Electrical Double Layer with Efficient Open Boundary Simulations under Potential ControlMargherita Buraschi, Andrew P Horsfield, Clotilde S Cucinotta
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 10, 2006
Ab initio molecular dynamics study of the keto-enol tautomerism of acetone in solutionClotilde S Cucinotta, Alice Ruini, Alessandra Catellani, et al.
The Journal of Physical Chemistry. A|December 22, 2006
Ab initio exploration of rearrangement reactions: intramolecular hydrogen scrambling processes in acetoneClotilde S Cucinotta, Alice Ruini, Alessandra Catellani, et al.
Journal of Chemical Theory and Computation|July 16, 2024
Enabling Ab Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green FunctionsChristian S Ahart, Sergey K Chulkov, Clotilde S Cucinotta
The Journal of Chemical Physics|February 13, 2026
Surface morphology controls charge storage at the electrified Pt-water interfaceMatthew T Darby, Muhammad Saleh, Marialore Sulpizi, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 4, 2009
Bifunctional catalysis by natural cinchona alkaloids: a mechanism explainedClotilde S Cucinotta, Monica Kosa, Paolo Melchiorre, et al.
Angewandte Chemie (International Ed. in English)|March 22, 2008
Unravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxanePaolo Raiteri, Giovanni Bussi, Clotilde S Cucinotta, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|October 2, 2024
Efficient and Selective Electrochemical CO<sub>2</sub> to Formic Acid Conversion: A First-Principles Study of Single-Atom and Dual-Atom Catalysts on Tin Disulfide MonolayersGuanming Chen, Margherita Buraschi, Rashid Al-Heidous, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
Physical Review Letters|December 21, 2011
Hydrogen oxidation reaction at the Ni/YSZ anode of solid oxide fuel cells from first principlesClotilde S Cucinotta, Marco Bernasconi, Michele Parrinello
Nanoscale|February 20, 2024
A computational model for a molecular chemical sensorMengxuan Li, Clotilde S Cucinotta, Andrew P Horsfield
The Journal of Physical Chemistry Letters|April 29, 2024
Revealing Interface Polarization Effects on the Electrical Double Layer with Efficient Open Boundary Simulations under Potential ControlMargherita Buraschi, Andrew P Horsfield, Clotilde S Cucinotta
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 10, 2006
Ab initio molecular dynamics study of the keto-enol tautomerism of acetone in solutionClotilde S Cucinotta, Alice Ruini, Alessandra Catellani, et al.
The Journal of Physical Chemistry. A|December 22, 2006
Ab initio exploration of rearrangement reactions: intramolecular hydrogen scrambling processes in acetoneClotilde S Cucinotta, Alice Ruini, Alessandra Catellani, et al.
Journal of Chemical Theory and Computation|July 16, 2024
Enabling Ab Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green FunctionsChristian S Ahart, Sergey K Chulkov, Clotilde S Cucinotta
The Journal of Chemical Physics|February 13, 2026
Surface morphology controls charge storage at the electrified Pt-water interfaceMatthew T Darby, Muhammad Saleh, Marialore Sulpizi, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 4, 2009
Bifunctional catalysis by natural cinchona alkaloids: a mechanism explainedClotilde S Cucinotta, Monica Kosa, Paolo Melchiorre, et al.
Angewandte Chemie (International Ed. in English)|March 22, 2008
Unravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxanePaolo Raiteri, Giovanni Bussi, Clotilde S Cucinotta, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|October 2, 2024
Efficient and Selective Electrochemical CO<sub>2</sub> to Formic Acid Conversion: A First-Principles Study of Single-Atom and Dual-Atom Catalysts on Tin Disulfide MonolayersGuanming Chen, Margherita Buraschi, Rashid Al-Heidous, et al.
Pageof 2