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Physical Chemistry Chemical Physics : PCCP
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May 8, 2010
Theory of nitride oxide adsorption on transition metal (111) surfaces: a first-principles investigation
Zhen-Hua Zeng, Juarez L F Da Silva, Wei-Xue Li
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2021
Ab initio investigation of the role of the d-states occupation on the adsorption properties of H<sub>2</sub>, CO, CH<sub>4</sub> and CH<sub>3</sub>OH on the Fe<sub>13</sub>, Co<sub>13</sub>, Ni<sub>13</sub> and Cu<sub>13</sub> clusters
Priscilla Felício-Sousa, Karla F Andriani, Juarez L F Da Silva
Journal of Chemical Information and Modeling
|
June 23, 2021
Investigation of the Stability Mechanisms of Eight-Atom Binary Metal Clusters Using DFT Calculations and <i>k</i>-means Clustering Algorithm
Felipe Orlando Morais, Karla F Andriani, Juarez L F Da Silva
Physical Review Letters
|
March 5, 2009
Density-functional calculations of the structure of near-surface oxygen vacancies and electron localization on CeO2(111)
M Verónica Ganduglia-Pirovano, Juarez L F Da Silva, Joachim Sauer
Journal of Chemical Information and Modeling
|
February 17, 2022
Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder
André F Oliveira, Juarez L F Da Silva, Marcos G Quiles
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2020
A hybrid-DFT investigation of the Ce oxidation state upon adsorption of F, Na, Ni, Pd and Pt on the (CeO<sub>2</sub>)<sub>6</sub> cluster
Mailde S Ozório, Karla F Andriani, Juarez L F Da Silva
Physical Chemistry Chemical Physics : PCCP
|
January 14, 2021
The role of the A-cations in the polymorphic stability and optoelectronic properties of lead-free ASnI<sub>3</sub> perovskites
Mailde S Ozório, Malladi Srikanth, Rafael Besse, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 1, 2011
The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co13, Rh13, and Hf13
Maurício J Piotrowski, Paulo Piquini, Ladir Cândido, et al.
The Journal of Chemical Physics
|
April 2, 2022
Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO<sub>2</sub> on 3d, 4d, and 5d transition-metal clusters
Matheus N Collacique, Vivianne K Ocampo-Restrepo, Juarez L F Da Silva
Avian Diseases
|
August 10, 2024
Cross-Protection Conferred by Combined Vaccine Containing Infectious Bronchitis Virus Attenuated Massachusetts and Recombinant LaSota Virus Expressing Arkansas Spike
R Espejo, C Breedlove, L F da Silva, et al.
Page
of 14
Search research articles
Search
Showing results (21-30 of 139) with videos related to
Sort By:
Page
of 14
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2010
Theory of nitride oxide adsorption on transition metal (111) surfaces: a first-principles investigation
Zhen-Hua Zeng, Juarez L F Da Silva, Wei-Xue Li
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2021
Ab initio investigation of the role of the d-states occupation on the adsorption properties of H<sub>2</sub>, CO, CH<sub>4</sub> and CH<sub>3</sub>OH on the Fe<sub>13</sub>, Co<sub>13</sub>, Ni<sub>13</sub> and Cu<sub>13</sub> clusters
Priscilla Felício-Sousa, Karla F Andriani, Juarez L F Da Silva
Journal of Chemical Information and Modeling
|
June 23, 2021
Investigation of the Stability Mechanisms of Eight-Atom Binary Metal Clusters Using DFT Calculations and <i>k</i>-means Clustering Algorithm
Felipe Orlando Morais, Karla F Andriani, Juarez L F Da Silva
Physical Review Letters
|
March 5, 2009
Density-functional calculations of the structure of near-surface oxygen vacancies and electron localization on CeO2(111)
M Verónica Ganduglia-Pirovano, Juarez L F Da Silva, Joachim Sauer
Journal of Chemical Information and Modeling
|
February 17, 2022
Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder
André F Oliveira, Juarez L F Da Silva, Marcos G Quiles
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2020
A hybrid-DFT investigation of the Ce oxidation state upon adsorption of F, Na, Ni, Pd and Pt on the (CeO<sub>2</sub>)<sub>6</sub> cluster
Mailde S Ozório, Karla F Andriani, Juarez L F Da Silva
Physical Chemistry Chemical Physics : PCCP
|
January 14, 2021
The role of the A-cations in the polymorphic stability and optoelectronic properties of lead-free ASnI<sub>3</sub> perovskites
Mailde S Ozório, Malladi Srikanth, Rafael Besse, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 1, 2011
The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co13, Rh13, and Hf13
Maurício J Piotrowski, Paulo Piquini, Ladir Cândido, et al.
The Journal of Chemical Physics
|
April 2, 2022
Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO<sub>2</sub> on 3d, 4d, and 5d transition-metal clusters
Matheus N Collacique, Vivianne K Ocampo-Restrepo, Juarez L F Da Silva
Avian Diseases
|
August 10, 2024
Cross-Protection Conferred by Combined Vaccine Containing Infectious Bronchitis Virus Attenuated Massachusetts and Recombinant LaSota Virus Expressing Arkansas Spike
R Espejo, C Breedlove, L F da Silva, et al.
Page
of 14