Search research articles
Contact Us
Filters
Showing results (61-70 of 139) with videos related to
Page
of 14
Sort By:
ACS Omega
|
March 30, 2026
Theoretical Exploration of the Physical-Chemical Properties of Divalent (<i>np</i> <sup>2</sup>) Cation Mixing in Double Cs<sub>2</sub>AgBiBr<sub>6</sub> Perovskite
Iván Ornelas-Cruz, Ramiro M Dos Santos, Matheus P Lima, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 3, 2020
Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO<sub>2</sub> nanoclusters
Larissa Zibordi-Besse, Lucas G Verga, Vivianne K Ocampo-Restrepo, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 18, 2022
Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface
Eduardo O Bartaquim, Raquel C Bezerra, Albert F B Bittencourt, et al.
The Journal of Chemical Physics
|
February 8, 2016
A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y-Tc and Pt
Krys E A Batista, Maurício J Piotrowski, Anderson S Chaves, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 18, 2020
<i>Ab initio</i> insights into the stabilization and binding mechanisms of MoS<sub>2</sub> nanoflakes supported on graphene
Naidel A M S Caturello, Julian F R V Silveira, Juarez L F Da Silva
Physical Chemistry Chemical Physics : PCCP
|
May 28, 2024
Data-driven stabilization of Ni<sub></sub>Pd<sub></sub> nanoalloys: a study using density functional theory and data mining approaches
Tiago M Souza, Lucas B Pena, Juarez L F Da Silva, et al.
ACS Omega
|
March 17, 2025
Theoretical Investigation of Stacked Two-Dimensional Transition-Metal Dichalcogenide Materials: The Role of Chemical Species and Number of Monolayers
Jean M Bracht, Mateus B P Querne, Juarez L F Da Silva, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 6, 2019
The influence of hydroxy groups on the adsorption of three-carbon alcohols on Ni(111), Pd(111) and Pt(111) surfaces: a density functional theory study within the D3 dispersion correction
Paulo C D Mendes, Rafael Costa-Amaral, Janaina F Gomes, et al.
The Journal of Physical Chemistry. B
|
September 23, 2020
Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study
Tuanan C Lourenço, Mahsa Ebadi, Daniel Brandell, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 30, 2020
Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces
Raquel C Bezerra, Paulo C D Mendes, Raimundo R Passos, et al.
Page
of 14
Search research articles
Search
Showing results (61-70 of 139) with videos related to
Sort By:
Page
of 14
ACS Omega
|
March 30, 2026
Theoretical Exploration of the Physical-Chemical Properties of Divalent (<i>np</i> <sup>2</sup>) Cation Mixing in Double Cs<sub>2</sub>AgBiBr<sub>6</sub> Perovskite
Iván Ornelas-Cruz, Ramiro M Dos Santos, Matheus P Lima, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 3, 2020
Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO<sub>2</sub> nanoclusters
Larissa Zibordi-Besse, Lucas G Verga, Vivianne K Ocampo-Restrepo, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 18, 2022
Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface
Eduardo O Bartaquim, Raquel C Bezerra, Albert F B Bittencourt, et al.
The Journal of Chemical Physics
|
February 8, 2016
A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y-Tc and Pt
Krys E A Batista, Maurício J Piotrowski, Anderson S Chaves, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 18, 2020
<i>Ab initio</i> insights into the stabilization and binding mechanisms of MoS<sub>2</sub> nanoflakes supported on graphene
Naidel A M S Caturello, Julian F R V Silveira, Juarez L F Da Silva
Physical Chemistry Chemical Physics : PCCP
|
May 28, 2024
Data-driven stabilization of Ni<sub></sub>Pd<sub></sub> nanoalloys: a study using density functional theory and data mining approaches
Tiago M Souza, Lucas B Pena, Juarez L F Da Silva, et al.
ACS Omega
|
March 17, 2025
Theoretical Investigation of Stacked Two-Dimensional Transition-Metal Dichalcogenide Materials: The Role of Chemical Species and Number of Monolayers
Jean M Bracht, Mateus B P Querne, Juarez L F Da Silva, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 6, 2019
The influence of hydroxy groups on the adsorption of three-carbon alcohols on Ni(111), Pd(111) and Pt(111) surfaces: a density functional theory study within the D3 dispersion correction
Paulo C D Mendes, Rafael Costa-Amaral, Janaina F Gomes, et al.
The Journal of Physical Chemistry. B
|
September 23, 2020
Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study
Tuanan C Lourenço, Mahsa Ebadi, Daniel Brandell, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 30, 2020
Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces
Raquel C Bezerra, Paulo C D Mendes, Raimundo R Passos, et al.
Page
of 14