Search Results - "César Azevedo Silva, Augusto"

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    Theoretical study of putrescine and X12Y12 (X=Al, B and Y=N, P) nanocage interactions by Silva, Adilson Luís Pereira, Silva, Augusto César Azevedo, Navis, Caleb Nathan, de Jesus Gomes Varela Júnior, Jaldyr

    “…A theoretical study on the interactions between X 12 Y 12 nanocages (Al 12 N 12 , Al 12 P 12 , B 12 N 12 , and B 12 P 12 ) and putrescine molecule (Put) is…”
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    Journal Article
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    Putrescine adsorption on pristine and Cu-decorated B12N12 nanocages: A density functional theory study by Silva, Adilson Luís Pereira, Silva, Augusto César Azevedo, Varela Júnior, Jaldyr de Jesus Gomes

    Published in Computational and theoretical chemistry (01-09-2022)
    “…[Display omitted] •The interaction of putrescine on the B12N12and Cu-decorated (Cu@b64and Cu@b66) nanocages were studied using DFT calculations.•Decoration of…”
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    Journal Article
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    A detailed theoretical study of the low-energy structures of Au–Ag bimetallic clusters by Silva, Augusto Cesar Azevedo, Caetano, Caio Vinicius, Silva, Adilson Luís Pereira, de Jesus Gomes Varela, Jaldyr

    “…In this work, we explored the energetic landscape of Au–Ag bimetallic clusters with Au 3 Ag m , Au 4 Ag m , and Au 5 Ag m compositions (3 ≤ m ≤ 17) using the…”
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    Journal Article
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    A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters by Leite, Francinaldo Dos Santos, Silva, Augusto C. A., Caetano, Caio V., Silva, Adilson L. P., Varela, Jaldyr Gomes

    “…In this work, we explored the energy landscape and the effect of increasing the amount of Ag atoms over the segregation of Cu atoms in bimetallic clusters with…”
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    Journal Article
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    A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters by Francinaldo dos Santos Leite, Augusto César Azevedo Silva, Caio Vinícius Caetano, Adilson Luís Pereira Silva, Jaldyr de Jesus Gomes Varela Júnior

    “…In this work, we explored the energy landscape and the effect of increasing the amount of Ag atoms over the segregation of Cu atoms in bimetallic clusters with…”
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    Journal Article
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    A Detailed Theoretical Study of [Cu.sub.3][Ag.sub.m] Bimetallic Clusters by Leite, Francinaldo dos Santos, Silva, Augusto Cesar Azevedo, Caetano, Caio Vinicius, Silva, Adilson Luis Pereira, Varela, Jaldyr de Jesus Gomes, Jr

    “…In this work, we explored the energy landscape and the effect of increasing the amount of Ag atoms over the segregation of Cu atoms in bimetallic clusters with…”
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    Journal Article