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Theoretical Exploration of Structural and Excitonic Properties in Black Phosphorus: From First-Principles to a Semi-Empirical Approach
Theoretical Exploration of Structural and Excitonic Properties in Black Phosphorus: From First-Principles to a Semi-Empirical Approach
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Theoretical Exploration of Structural and Excitonic Properties in Black Phosphorus: From First-Principles to a Semi-Empirical Approach

Guedes-Sobrinho, Diego ; Caldeira Rêgo, Celso R. ; Da Silva, Gabriel Reynald ; Da Silva, Henrique R. ; Wenzel, W. ; Piotrowski, Maurício J. ; Cavalheiro Dias, Alexandre

Journal of physical chemistry. C, 2024-05, Vol.128 (17), p.7242-7251 [Peer Reviewed Journal]

American Chemical Society

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Theoretical Study of the Structural, Energetic, and Electronic Properties of 55-Atom Metal Nanoclusters: A DFT Investigation within van der Waals Corrections, Spin–Orbit Coupling, and PBE+U of 42 Metal Systems
Theoretical Study of the Structural, Energetic, and Electronic Properties of 55-Atom Metal Nanoclusters: A DFT Investigation within van der Waals Corrections, Spin–Orbit Coupling, and PBE+U of 42 Metal Systems
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Theoretical Study of the Structural, Energetic, and Electronic Properties of 55-Atom Metal Nanoclusters: A DFT Investigation within van der Waals Corrections, Spin–Orbit Coupling, and PBE+U of 42 Metal Systems

Piotrowski, Maurício J ; Ungureanu, Crina G ; Tereshchuk, Polina ; Batista, Krys E. A ; Chaves, Anderson S ; Guedes-Sobrinho, Diego ; Da Silva, Juarez L. F

Journal of physical chemistry. C, 2016-12, Vol.120 (50), p.28844-28856 [Peer Reviewed Journal]

American Chemical Society

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3
Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu 13 , Pt 7 Cu 6 , and Pt 13
Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu 13 , Pt 7 Cu 6 , and Pt 13
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Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu 13 , Pt 7 Cu 6 , and Pt 13

Chaves, Anderson S. ; Piotrowski, Maurício J. ; Guedes-Sobrinho, Diego ; Da Silva, Juarez L. F.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-11, Vol.119 (47), p.11565-11573 [Peer Reviewed Journal]

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4
Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu13, Pt7Cu6, and Pt13
Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu13, Pt7Cu6, and Pt13
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Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu13, Pt7Cu6, and Pt13

Chaves, Anderson S ; Piotrowski, Maurício J ; Guedes-Sobrinho, Diego ; Da Silva, Juarez L. F

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-11, Vol.119 (47), p.11565-11573 [Peer Reviewed Journal]

United States: American Chemical Society

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5
Structure, Electronic, and Magnetic Properties of Binary Pt n TM 55– n (TM = Fe, Co, Ni, Cu, Zn) Nanoclusters: A Density Functional Theory Investigation
Structure, Electronic, and Magnetic Properties of Binary Pt n TM 55– n (TM = Fe, Co, Ni, Cu, Zn) Nanoclusters: A Density Functional Theory Investigation
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Structure, Electronic, and Magnetic Properties of Binary Pt n TM 55– n (TM = Fe, Co, Ni, Cu, Zn) Nanoclusters: A Density Functional Theory Investigation

Guedes-Sobrinho, Diego ; Nomiyama, Ricardo K. ; Chaves, Anderson S. ; Piotrowski, Maurício J. ; Da Silva, Juarez L. F.

Journal of physical chemistry. C, 2015-07, Vol.119 (27), p.15669-15679 [Peer Reviewed Journal]

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