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Nanoscale
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August 23, 2023
Disclosing gate-opening/closing events inside a flexible metal-organic framework loaded with CO<sub>2</sub> by reactive and essential dynamics
Susanna Monti, Cheherazade Trouki, Giovanni Barcaro
Journal of Materials Chemistry. B
|
June 12, 2023
Stability and potential degradation of the α',β'-epoxyketone pharmacophore on ZnO nanocarriers: insights from reactive molecular dynamics and density functional theory calculations
Cheherazade Trouki, Susanna Monti, Giovanni Barcaro
Physical Chemistry Chemical Physics : PCCP
|
March 28, 2008
Metal adsorption on oxide polar ultrathin films
Giovanni Barcaro, Alessandro Fortunelli, Gaetano Granozzi
Physical Chemistry Chemical Physics : PCCP
|
October 6, 2021
An augmented (multi-descriptor) grouping algorithm to optimize chemical ordering in nanoalloys
Davide Fioravanti, Giovanni Barcaro, Alessandro Fortunelli
The Journal of Chemical Physics
|
April 8, 2010
Validation of density-functional versus density-functional+U approaches for oxide ultrathin films
Giovanni Barcaro, Iorwerth Owain Thomas, Alessandro Fortunelli
Nano Letters
|
March 4, 2011
Patchy multishell segregation in Pd-Pt alloy nanoparticles
Giovanni Barcaro, Alessandro Fortunelli, Micha Polak, et al.
Nanoscale
|
May 3, 2014
Comment on "(Au-Ag)144(SR)60 alloy nanomolecules" by C. Kumara and A. Dass, Nanoscale, 2011, 3, 3064
Giovanni Barcaro, Luca Sementa, Alessandro Fortunelli, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2017
Ab initio modelling of oxygen vacancy arrangement in highly defective HfO<sub>2</sub> resistive layers
Luca Sementa, Luca Larcher, Giovanni Barcaro, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2017
Molecular dynamics simulations of melting and sintering of Si nanoparticles: a comparison of different force fields and computational models
Luca Sementa, Giovanni Barcaro, Susanna Monti, et al.
Journal of Chemical Theory and Computation
|
February 8, 2019
Modeling Nucleation and Growth of ZnO Nanoparticles in a Low Temperature Plasma by Reactive Dynamics
Giovanni Barcaro, Susanna Monti, Luca Sementa, et al.
Page
of 8
Search research articles
Search
Showing results (11-20 of 80) with videos related to
Sort By:
Page
of 8
Nanoscale
|
August 23, 2023
Disclosing gate-opening/closing events inside a flexible metal-organic framework loaded with CO<sub>2</sub> by reactive and essential dynamics
Susanna Monti, Cheherazade Trouki, Giovanni Barcaro
Journal of Materials Chemistry. B
|
June 12, 2023
Stability and potential degradation of the α',β'-epoxyketone pharmacophore on ZnO nanocarriers: insights from reactive molecular dynamics and density functional theory calculations
Cheherazade Trouki, Susanna Monti, Giovanni Barcaro
Physical Chemistry Chemical Physics : PCCP
|
March 28, 2008
Metal adsorption on oxide polar ultrathin films
Giovanni Barcaro, Alessandro Fortunelli, Gaetano Granozzi
Physical Chemistry Chemical Physics : PCCP
|
October 6, 2021
An augmented (multi-descriptor) grouping algorithm to optimize chemical ordering in nanoalloys
Davide Fioravanti, Giovanni Barcaro, Alessandro Fortunelli
The Journal of Chemical Physics
|
April 8, 2010
Validation of density-functional versus density-functional+U approaches for oxide ultrathin films
Giovanni Barcaro, Iorwerth Owain Thomas, Alessandro Fortunelli
Nano Letters
|
March 4, 2011
Patchy multishell segregation in Pd-Pt alloy nanoparticles
Giovanni Barcaro, Alessandro Fortunelli, Micha Polak, et al.
Nanoscale
|
May 3, 2014
Comment on "(Au-Ag)144(SR)60 alloy nanomolecules" by C. Kumara and A. Dass, Nanoscale, 2011, 3, 3064
Giovanni Barcaro, Luca Sementa, Alessandro Fortunelli, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2017
Ab initio modelling of oxygen vacancy arrangement in highly defective HfO<sub>2</sub> resistive layers
Luca Sementa, Luca Larcher, Giovanni Barcaro, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2017
Molecular dynamics simulations of melting and sintering of Si nanoparticles: a comparison of different force fields and computational models
Luca Sementa, Giovanni Barcaro, Susanna Monti, et al.
Journal of Chemical Theory and Computation
|
February 8, 2019
Modeling Nucleation and Growth of ZnO Nanoparticles in a Low Temperature Plasma by Reactive Dynamics
Giovanni Barcaro, Susanna Monti, Luca Sementa, et al.
Page
of 8