| 2024 |
Artigo em periódico |
DFT Analysis of Dynamic; Charge; and TD-DFT Properties of Doped; Encapsulated; and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 2
De Sousa Sousa NATANAEL; Silva Adilson Luís PEREIRA; Silva Augusto César AZEVEDO; Jaldyr De Jesus Gomes Varela JÚNIOR
Journal of Inorganic and Organometallic Polymers and Materials
DOI 10.1007/s10904-024-03025-3
ISSN 1574-1443
|
PS
Inorganic Chemistry
|
| 2024 |
Artigo em periódico |
DFT Analysis of Structural; Energetic and Electronic Properties of Doped; Encapsulated; and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 1
De Sousa Sousa NATANAEL; Silva Adilson Luís PEREIRA; Silva Augusto César AZEVEDO; Jaldyr De Jesus Gomes Varela JÚNIOR
Journal of Inorganic and Organometallic Polymers and Materials
DOI 10.1007/s10904-024-03071-x
ISSN 1574-1443
|
PS
Inorganic Chemistry
|
| 2024 |
Artigo em periódico |
Anti-Leishmania activity and molecular docking of unusual flavonoids-rich fraction from Arrabidaea brachypoda (Bignoniaceae)
Das Neves Monica A; Do Nascimento Jessyane R; Silva Vera Lucia M L; Dos Santos Alberto M; Jaldyr De Jesus Gomes Varela JÚNIOR et al
MOLECULAR AND BIOCHEMICAL PARASITOLOGY
DOI 10.1016/j.molbiopara.2024.111629
ISSN 0166-6851
|
LS
Parasitology
|
| 2023 |
Artigo em periódico |
Theoretical studies with B12N12 as a toxic gas sensor: a review
Silva Adilson Luís PEREIRA; De Sousa Sousa NATANAEL; Jaldyr De Jesus Gomes Varela JÚNIOR
JOURNAL OF NANOPARTICLE RESEARCH
DOI 10.1007/s11051-023-05667-9
ISSN 1388-0764
|
PS
Analytical Chemistry
|
| 2023 |
Artigo em periódico |
Molecular structure of Ru(II)/diphosphine/4;6-dimethyl-2-pyrimidinethiol complexes: A combined experimental and density functional theory study
Lima Benedicto A V; Jaldyr De Jesus Gomes Varela JÚNIOR; Ellena JAVIER; Batista Alzir A; Da Silva Albérico B F et al
JOURNAL OF MOLECULAR STRUCTURE
DOI 10.1016/j.molstruc.2023.135234
ISSN 0022-2860
|
PS
Physical and Theoretical Chemistry
|
| 2023 |
Artigo em periódico |
Beyond Surface: Correlating CuI /CuII and O-Vacancy Surface Sites in CuxO Nanocubes with Their Activities as Noble Metal-free Anodes for Fuel Cells
Rosado Taíssa F; Costa Isael P; Nadier JULIANA; De Avillez Roberto R; Xing YUTAO et al
SURFACES AND INTERFACES
DOI 10.1016/j.surfin.2023.102889
ISSN 2468-0230
|
PS
Surfaces; Coatings and Films
|
| 2023 |
Artigo em periódico |
MB11N12 (M-=-Fe-Zn) Nanocages for Cyanogen Chloride Detection: A DFT Study
Silva Adilson Luís PEREIRA; Jaldyr De Jesus Gomes Varela JÚNIOR
Journal of Inorganic and Organometallic Polymers and Materials
DOI 10.1007/s10904-023-02824-4
ISSN 1574-1443
|
PS
Inorganic Chemistry
|
| 2023 |
Artigo em periódico |
Cu-modified B12N12 nanocage as a chemical sensor for nitrogen monoxide gas: a density functional theory study
De Sousa Sousa NATANAEL; Silva Adilson Luís PEREIRA; Silva Augusto Cesar AZEVEDO; Jaldyr De Jesus Gomes Varela JÚNIOR
JOURNAL OF NANOPARTICLE RESEARCH
DOI 10.1007/s11051-023-05898-w
ISSN 1388-0764
|
PS
Physical and Theoretical Chemistry
|
| 2022 |
Capítulo de livro |
QUIMÚSICA: O USO DA MÚSICA COMO RECURSO DIDÁTICO NO ENSINO DE QUÍMICA
Elis Cristina De Sousa FERREIRA; Adilson Luís Pereira SILVA; Anna Karolyne Lages LEAL; Maria Laryssa Costa De JESUS; Raissa Soares Penha FERREITA et al
Colection: Applied Chemical Engineering 2
DOI 10.22533/at.ed.9022226043
ISBN 9786559839
|
PS
Chemistry (miscellaneous)
|
| 2022 |
Artigo em periódico |
Galvanic replacement managing direct methanol fuel cells: AgPt nanotubes as a strategy for methanol crossover effect tolerance
França Mesaque CARVALHO; Ferreira Rayse MACHADO; Dos Santos Pereira FELLIPE; E Silva Felipe ANCHIETA; Silva Augusto César AZEVEDO et al
JOURNAL OF MATERIALS SCIENCE
DOI 10.1007/s10853-022-07193-w
ISSN 0022-2461
|
LS
Physiology
|
| 2022 |
Artigo em periódico |
Putrescine Adsorption on Pristine and Cu-Decorated B12N12 Nanocages: A Density Functional Theory Study
Luís Pereira Silva ADILSON; César Azevedo Silva AUGUSTO; Jaldyr De Jesus Gomes Varela JÚNIOR
Computational and Theoretical Chemistry
DOI 10.1016/j.comptc.2022.113836
ISSN 2210-271X
|
PS
Physical and Theoretical Chemistry
|
| 2022 |
Artigo em periódico |
Application of AgPt Nanoshells in Direct Methanol Fuel Cells: Experimental and Theoretical Insights of Design Electrocatalysts over Methanol Crossover Effect
De Mello Rodrigues Makson RANGEL; Ferreira Rayse MACHADO; Dos Santos Pereira FELLIPE; Anchieta E Silva FELIPE; Silva Augusto César AZEVEDO et al
ChemCatChem
DOI 10.1002/cctc.202200605
ISSN 1867-3880
|
LS
Food Science
|
| 2022 |
Artigo em periódico |
Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces
Dos Santos Alberto M; Oliveira Amanda Ruslana SANTANA; Da Costa Clauber H S; Kenny Peter W; Montanari Carlos A et al
Journal of Chemical Information and Modeling
DOI 10.1021/acs.jcim.2c00466
ISSN 1549-9596
|
LS
Biochemistry
|
| 2022 |
Artigo em periódico |
Density Functional Theory Study of Cu-Modified B N Nanocage as a Chemical Sensor for Carbon Monoxide Gas
Pereira Silva Adilson LUÍS; Jaldyr De Jesus Gomes Varela JÚNIOR
INORGANIC CHEMISTRY
DOI 10.1021/acs.inorgchem.2c01621
ISSN 0020-1669
|
PS
Inorganic Chemistry
|
| 2022 |
Artigo em periódico |
Detection of cadaverine and putrescine on (10;0) carbon; boron nitride and gallium nitride nanotubes: a density functional theory study
Ferreira Francisco Gleidson De SOUSA; Caetano Ribeiro Da Silva Caio VINÍCIUS; Navis Caleb NATAN; Silva Adilson Luís PEREIRA; Jaldyr De Jesus Gomes Varela JÚNIOR
NEW JOURNAL OF CHEMISTRY
DOI 10.1039/d2nj02732a
ISSN 1144-0546
|
PS
Physical and Theoretical Chemistry
|
| 2022 |
Artigo em periódico |
Application of AgPt Nanoshells in Direct Methanol Fuel Cells: Experimental and Theoretical Insights of Design Electrocatalysts over Methanol Crossover Effect
Rangel De Melo Rodrigues MAKSON; Machado Ferreira RAYSE; Dos Santos Pereira FELLIPE; Anchieta E Silva FELIPE; César Azevedo Silva AUGUSTO et al
ChemCatChem
DOI 10.1002/cctc.202201376
ISSN 1867-3880
|
LS
Food Science
|
| 2022 |
Artigo em periódico |
Carbon monoxide interaction with B12N12 nanocage with and without an external electric field: a DFT study
Silva Adilson Luís PEREIRA; Jaldyr De Jesus Gomes Varela JÚNIOR
JOURNAL OF NANOPARTICLE RESEARCH
DOI 10.1007/s11051-021-05382-3
ISSN 1388-0764
|
PS
Physical and Theoretical Chemistry
|
| 2021 |
Trabalho em evento |
Nanoestruturas de carbono e halobenzoquinonas: um estudo ab initio.
Yuri Ramos Menezes Santos SOEIRO; Silvete Coradi GUERINI; Jaldyr De Jesus Gomes Varela JÚNIOR
XXI Simpósio Brasileiro de Química Teórica - XXI SBQT
|
PS
Physical and Theoretical Chemistry
|
| 2021 |
Trabalho em evento |
NANOESTRUTURAS DE CARBONO E HALOBENZOQUINONA: UM ESTUDO COM ABORDAGEM COMPUTACIONAL
Yuri Ramos Menezes Santos SOEIRO; Jaldyr De Jesus Gomes Varela JÚNIOR; Guerini SILVETE
XVIII Semana Nacional de Ciência e Tecnologia
|
PS
Physical and Theoretical Chemistry
|
| 2021 |
Artigo em periódico |
Theoretical study of putrescine and X12Y12 (X=Al; B and Y=N; P) nanocage interactions
Silva Adilson Luís PEREIRA; Silva Augusto César AZEVEDO; Navis Caleb NATHAN; Jaldyr De Jesus Gomes Varela JÚNIOR
JOURNAL OF NANOPARTICLE RESEARCH
DOI 10.1007/s11051-021-05211-7
ISSN 1388-0764
|
LS
Biochemistry
|
| 2021 |
Artigo em periódico |
Structural and electronic properties of FeCl 3</sub> and CrO 3</sub> interacting with GaP nanotubes from DFT calculations
Caetano Caio VINÍCIUS; Guerini SILVETE; Silva Augusto César AZEVEDO; Jaldyr De Jesus Gomes Varela JÚNIOR
NEW JOURNAL OF CHEMISTRY
DOI 10.1039/d1nj01416a
ISSN 1144-0546
|
PS
Physical and Theoretical Chemistry
|
| 2021 |
Artigo em periódico |
A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters
Leite Francinaldo Dos SANTOS; Silva Augusto C A; Caetano Caio V; Silva Adilson L P; Jaldyr De Jesus Gomes Varela JÚNIOR
ORBITAL: THE ELECTRONIC JOURNAL OF CHEMISTRY
DOI 10.17807/orbital.v13i3.1536
ISSN 1984-6428
|
PS
Organic Chemistry
|
| 2021 |
Artigo em periódico |
CONFIGURAÇÃO ELETRÔNICA NOS LIVROS DIDÁTICOS DE QUÍMICA DO PNLD 2018-2020: UM ESTUDO HISTÓRICO-CONCEITUAL
Silva Adilson Luís PEREIRA; Jaldyr De Jesus Gomes Varela JÚNIOR; Sá Silva Jackson RONIE; Costa Hawbertt ROCHA
VIDYA (SANTA MARIA. ONLINE)
DOI 10.37781/vidya.v41i1.3720
ISSN 2176-4603
|
SH
Education
|
| 2021 |
Artigo em periódico |
A detailed theoretical study of the low-energy structures of Au-Ag bimetallic clusters
Silva Augusto Cesar AZEVEDO; Caio Vinícius Caetano Ribeiro Da SILVA; Silva Adilson Luís PEREIRA; Jaldyr De Jesus Gomes Varela JÚNIOR
JOURNAL OF NANOPARTICLE RESEARCH
DOI 10.1007/s11051-022-05415-5
ISSN 1388-0764
|
PS
Physical and Theoretical Chemistry
|
| 2020 |
Artigo em periódico |
New Heteroleptic RuII/Diphosphine Complexes with Cytotoxicity against Human Breast and Murine Ascitic Sarcoma 180 Tumor Cells
Lima BENEDICTO; Corrêa RODRIGO; Graminha ANGÉLICA; Jaldyr De Jesus Gomes Varela JÚNIOR; Da Silva ALBÉRICO et al
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
DOI 10.21577/0103-5053.20200020
ISSN 0103-5053
|
PS
Organic Chemistry
|