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Physical Chemistry Chemical Physics : PCCP
|
August 22, 2014
Ligand/cluster/support catalytic complexes in heterogeneous ultrananocatalysis: NO oxidation on Ag3/MgO(100)
Luca Sementa, Giovanni Barcaro, Fabio R Negreiros, et al.
Nanoscale
|
February 17, 2015
Optimizing the oxygen evolution reaction for electrochemical water oxidation by tuning solvent properties
Alessandro Fortunelli, William A Goddard, Luca Sementa, et al.
Journal of Chemical Theory and Computation
|
August 15, 2025
Extrapolation Techniques in Database Construction for Machine-Learning Potentials: Achieving Subchemical Accuracy in Sampling Conformal Funnels in Catalytic Processes
Thantip Roongcharoen, Giorgio Conter, Giacomo Melani, et al.
Journal of Chemical Theory and Computation
|
August 30, 2024
Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes
Thantip Roongcharoen, Giorgio Conter, Luca Sementa, et al.
The Journal of Physical Chemistry. A
|
August 24, 2022
Coupling between Plasmonic and Molecular Excitations: TDDFT Investigation of an Ag-Nanorod/BODIPY-Dye Interaction
Marco Medves, Daniele Toffoli, Mauro Stener, et al.
Nano Letters
|
November 18, 2011
Interface effects on the magnetism of CoPt-supported nanostructures
Giovanni Barcaro, Luca Sementa, Fabio R Negreiros, et al.
Journal of the American Chemical Society
|
October 14, 2014
Au₂₄(SAdm)₁₆ nanomolecules: X-ray crystal structure, theoretical analysis, adaptability of adamantane ligands to form Au₂₃(SAdm)₁₆ and Au₂₅(SAdm)₁₆, and its relation to Au₂₅(SR)₁₈
David Crasto, Giovanni Barcaro, Mauro Stener, et al.
Journal of the American Chemical Society
|
July 28, 2025
Ammonia Evolution in Glycine Pyrolysis via Ionic-Pair Reaction Mechanisms
Jacopo Lupi, Thantip Roongcharoen, Luca Sementa, et al.
The Journal of Chemical Physics
|
May 17, 2020
An efficient hybrid scheme for time dependent density functional theory
Marco Medves, Luca Sementa, Daniele Toffoli, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 27, 2018
Pd doping, conformational, and charge effects on the dichroic response of a monolayer protected Au<sub>38</sub>(SR)<sub>24</sub> nanocluster
Daniele Toffoli, Oscar Baseggio, Giovanna Fronzoni, et al.
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of 6
Search research articles
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Showing results (11-20 of 57) with videos related to
Sort By:
Page
of 6
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2014
Ligand/cluster/support catalytic complexes in heterogeneous ultrananocatalysis: NO oxidation on Ag3/MgO(100)
Luca Sementa, Giovanni Barcaro, Fabio R Negreiros, et al.
Nanoscale
|
February 17, 2015
Optimizing the oxygen evolution reaction for electrochemical water oxidation by tuning solvent properties
Alessandro Fortunelli, William A Goddard, Luca Sementa, et al.
Journal of Chemical Theory and Computation
|
August 15, 2025
Extrapolation Techniques in Database Construction for Machine-Learning Potentials: Achieving Subchemical Accuracy in Sampling Conformal Funnels in Catalytic Processes
Thantip Roongcharoen, Giorgio Conter, Giacomo Melani, et al.
Journal of Chemical Theory and Computation
|
August 30, 2024
Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes
Thantip Roongcharoen, Giorgio Conter, Luca Sementa, et al.
The Journal of Physical Chemistry. A
|
August 24, 2022
Coupling between Plasmonic and Molecular Excitations: TDDFT Investigation of an Ag-Nanorod/BODIPY-Dye Interaction
Marco Medves, Daniele Toffoli, Mauro Stener, et al.
Nano Letters
|
November 18, 2011
Interface effects on the magnetism of CoPt-supported nanostructures
Giovanni Barcaro, Luca Sementa, Fabio R Negreiros, et al.
Journal of the American Chemical Society
|
October 14, 2014
Au₂₄(SAdm)₁₆ nanomolecules: X-ray crystal structure, theoretical analysis, adaptability of adamantane ligands to form Au₂₃(SAdm)₁₆ and Au₂₅(SAdm)₁₆, and its relation to Au₂₅(SR)₁₈
David Crasto, Giovanni Barcaro, Mauro Stener, et al.
Journal of the American Chemical Society
|
July 28, 2025
Ammonia Evolution in Glycine Pyrolysis via Ionic-Pair Reaction Mechanisms
Jacopo Lupi, Thantip Roongcharoen, Luca Sementa, et al.
The Journal of Chemical Physics
|
May 17, 2020
An efficient hybrid scheme for time dependent density functional theory
Marco Medves, Luca Sementa, Daniele Toffoli, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 27, 2018
Pd doping, conformational, and charge effects on the dichroic response of a monolayer protected Au<sub>38</sub>(SR)<sub>24</sub> nanocluster
Daniele Toffoli, Oscar Baseggio, Giovanna Fronzoni, et al.
Page
of 6