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L F da Silva

Showing results (31-40 of 139) with videos related to

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ACS Omega|June 16, 2025
Influence of Ion Substitution on the Properties of Apatite-Based Materials: Computational Predictions Using Density Functional TheoryHenrique S Marques, Albert F B Bittencourt, Juarez L F Da Silva
Physical Chemistry Chemical Physics : PCCP|March 8, 2021
<i>Ab initio</i> screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO<sub>2</sub>Paulo C D Mendes, Lucas G Verga, Juarez L F Da Silva
The Journal of Chemical Physics|January 3, 2019
<i>Ab initio</i> investigation of the formation of ZrO<sub>2</sub>-like structures upon the adsorption of Zr <sub></sub> on the CeO<sub>2</sub>(111) surfaceJohnatan Mucelini, Rafael Costa-Amaral, Yohanna Seminovski, et al.
The Journal of Chemical Physics|December 12, 2019
Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H<sub>2</sub>, CO, H<sub>2</sub>O, and CO<sub>2</sub>Vivianne K Ocampo-Restrepo, Larissa Zibordi-Besse, Juarez L F Da Silva
The Journal of Physical Chemistry. A|September 2, 2021
Ab Initio Study of CO<sub>2</sub> Activation on Pristine and Fe-Decorated WS<sub>2</sub> NanoflakesHenrique A B Fonseca, Lucas G Verga, Juarez L F Da Silva
Physical Chemistry Chemical Physics : PCCP|November 29, 2023
<i>Ab initio</i> study for late steps of CO<sub>2</sub> and CO electroreduction: from CHCO* toward C<sub>2</sub> products on Cu and CuZn nanoclustersVivianne K Ocampo-Restrepo, Lucas G Verga, Juarez L F Da Silva
Journal of Chemical Information and Modeling|March 9, 2021
Correlation-Based Framework for Extraction of Insights from Quantum Chemistry Databases: Applications for NanoclustersJohnatan Mucelini, Marcos G Quiles, Ronaldo C Prati, et al.
Dalton Transactions (Cambridge, England : 2003)|February 17, 2016
Nitroxyl as a ligand in ruthenium tetraammine systems: a density functional theory studyAugusto C H Da Silva, Juarez L F Da Silva, Douglas W Franco
Physical Chemistry Chemical Physics : PCCP|June 17, 2024
Theoretical study of the structural and energetic properties of Ce<sub>1-</sub>Zr<sub></sub>O<sub>2</sub> nanoparticles <i>via</i> molecular dynamics simulationsMylena N Santos, Tuanan C Lourenço, Mauricio Mocelim, et al.
Physical Chemistry Chemical Physics : PCCP|May 31, 2024
Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskitesGuilherme K Inui, Rafael Besse, José E González, et al.
Pageof 14

Showing results (31-40 of 139) with videos related to

Sort By:
Pageof 14
ACS Omega|June 16, 2025
Influence of Ion Substitution on the Properties of Apatite-Based Materials: Computational Predictions Using Density Functional TheoryHenrique S Marques, Albert F B Bittencourt, Juarez L F Da Silva
Physical Chemistry Chemical Physics : PCCP|March 8, 2021
<i>Ab initio</i> screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO<sub>2</sub>Paulo C D Mendes, Lucas G Verga, Juarez L F Da Silva
The Journal of Chemical Physics|January 3, 2019
<i>Ab initio</i> investigation of the formation of ZrO<sub>2</sub>-like structures upon the adsorption of Zr <sub></sub> on the CeO<sub>2</sub>(111) surfaceJohnatan Mucelini, Rafael Costa-Amaral, Yohanna Seminovski, et al.
The Journal of Chemical Physics|December 12, 2019
Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H<sub>2</sub>, CO, H<sub>2</sub>O, and CO<sub>2</sub>Vivianne K Ocampo-Restrepo, Larissa Zibordi-Besse, Juarez L F Da Silva
The Journal of Physical Chemistry. A|September 2, 2021
Ab Initio Study of CO<sub>2</sub> Activation on Pristine and Fe-Decorated WS<sub>2</sub> NanoflakesHenrique A B Fonseca, Lucas G Verga, Juarez L F Da Silva
Physical Chemistry Chemical Physics : PCCP|November 29, 2023
<i>Ab initio</i> study for late steps of CO<sub>2</sub> and CO electroreduction: from CHCO* toward C<sub>2</sub> products on Cu and CuZn nanoclustersVivianne K Ocampo-Restrepo, Lucas G Verga, Juarez L F Da Silva
Journal of Chemical Information and Modeling|March 9, 2021
Correlation-Based Framework for Extraction of Insights from Quantum Chemistry Databases: Applications for NanoclustersJohnatan Mucelini, Marcos G Quiles, Ronaldo C Prati, et al.
Dalton Transactions (Cambridge, England : 2003)|February 17, 2016
Nitroxyl as a ligand in ruthenium tetraammine systems: a density functional theory studyAugusto C H Da Silva, Juarez L F Da Silva, Douglas W Franco
Physical Chemistry Chemical Physics : PCCP|June 17, 2024
Theoretical study of the structural and energetic properties of Ce<sub>1-</sub>Zr<sub></sub>O<sub>2</sub> nanoparticles <i>via</i> molecular dynamics simulationsMylena N Santos, Tuanan C Lourenço, Mauricio Mocelim, et al.
Physical Chemistry Chemical Physics : PCCP|May 31, 2024
Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskitesGuilherme K Inui, Rafael Besse, José E González, et al.
Pageof 14