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Physical Chemistry Chemical Physics : PCCP
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May 6, 2020
Operando XANES from first-principles and its application to iridium oxide
Francesco Nattino, Nicola Marzari
The Journal of Chemical Physics
|
March 16, 2015
N2 dissociation on W(110): An ab initio molecular dynamics study on the effect of phonons
Francesco Nattino, Francesca Costanzo, Geert-Jan Kroes
The Journal of Chemical Physics
|
August 10, 2014
Dissociative chemisorption of methane on metal surfaces: tests of dynamical assumptions using quantum models and ab initio molecular dynamics
Bret Jackson, Francesco Nattino, Geert-Jan Kroes
The Journal of Chemical Physics
|
March 3, 2016
Application of van der Waals functionals to the calculation of dissociative adsorption of N2 on W(110) for static and dynamic systems
Davide Migliorini, Francesco Nattino, Geert-Jan Kroes
Journal of Chemical Theory and Computation
|
October 4, 2019
Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations
Francesco Nattino, Céline Dupont, Nicola Marzari, et al.
The Journal of Chemical Physics
|
February 3, 2019
Continuum models of the electrochemical diffuse layer in electronic-structure calculations
Francesco Nattino, Matthew Truscott, Nicola Marzari, et al.
The Journal of Chemical Physics
|
February 1, 2016
Methane dissociation on Pt(111): Searching for a specific reaction parameter density functional
Francesco Nattino, Davide Migliorini, Matteo Bonfanti, et al.
Physical Review Letters
|
September 26, 2012
Effect of surface motion on the rotational quadrupole alignment parameter of D2 reacting on Cu(111)
Francesco Nattino, Cristina Díaz, Bret Jackson, et al.
The Journal of Chemical Physics
|
January 3, 2019
HOD on Ni(111): <i>Ab Initio</i> molecular dynamics prediction of molecular beam experiments
Davide Migliorini, Francesco Nattino, Ashwani K Tiwari, et al.
Journal of Chemical Theory and Computation
|
January 26, 2019
Solvent-Aware Interfaces in Continuum Solvation
Oliviero Andreussi, Nicolas Georg Hörmann, Francesco Nattino, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
Physical Chemistry Chemical Physics : PCCP
|
May 6, 2020
Operando XANES from first-principles and its application to iridium oxide
Francesco Nattino, Nicola Marzari
The Journal of Chemical Physics
|
March 16, 2015
N2 dissociation on W(110): An ab initio molecular dynamics study on the effect of phonons
Francesco Nattino, Francesca Costanzo, Geert-Jan Kroes
The Journal of Chemical Physics
|
August 10, 2014
Dissociative chemisorption of methane on metal surfaces: tests of dynamical assumptions using quantum models and ab initio molecular dynamics
Bret Jackson, Francesco Nattino, Geert-Jan Kroes
The Journal of Chemical Physics
|
March 3, 2016
Application of van der Waals functionals to the calculation of dissociative adsorption of N2 on W(110) for static and dynamic systems
Davide Migliorini, Francesco Nattino, Geert-Jan Kroes
Journal of Chemical Theory and Computation
|
October 4, 2019
Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations
Francesco Nattino, Céline Dupont, Nicola Marzari, et al.
The Journal of Chemical Physics
|
February 3, 2019
Continuum models of the electrochemical diffuse layer in electronic-structure calculations
Francesco Nattino, Matthew Truscott, Nicola Marzari, et al.
The Journal of Chemical Physics
|
February 1, 2016
Methane dissociation on Pt(111): Searching for a specific reaction parameter density functional
Francesco Nattino, Davide Migliorini, Matteo Bonfanti, et al.
Physical Review Letters
|
September 26, 2012
Effect of surface motion on the rotational quadrupole alignment parameter of D2 reacting on Cu(111)
Francesco Nattino, Cristina Díaz, Bret Jackson, et al.
The Journal of Chemical Physics
|
January 3, 2019
HOD on Ni(111): <i>Ab Initio</i> molecular dynamics prediction of molecular beam experiments
Davide Migliorini, Francesco Nattino, Ashwani K Tiwari, et al.
Journal of Chemical Theory and Computation
|
January 26, 2019
Solvent-Aware Interfaces in Continuum Solvation
Oliviero Andreussi, Nicolas Georg Hörmann, Francesco Nattino, et al.
Page
of 3