Albérico Borges Ferreira Da Silva

Dados pessoais

Lattes
Grupos de Pesquisa
Genealogia Acadêmica

Nacionalidade: Brasileira
Grande área de atuação: Ciências Exatas e da Terra
Área de atuação: Química

Publicações

Total: 408

Área temática ASJC

Percentual das publicações classificadas

HS Ciências da Saúde
LS Ciências da Vida
MU Multidisciplinar
PS Ciências Físicas
SH Ciências Sociais e Humanidades

Categoria ASJC

Categorias ASJC mais frequentes

Nome	Vínculo	Grande área de atuação	Área de atuação
Nome	Vínculo	Grande área de atuação	Área de atuação
Agnaldo ARROIO		Ciências Humanas	Educação
Aguinaldo Robinson De SOUZA		Ciências Exatas e da Terra	Química
Aline Estefany Brandão LIMA		Ciências Exatas e da Terra	Química
Antonio Maia De Jesus Chaves NETO		Engenharias	Engenharia Química
Claudio Nahum ALVES		Ciências Exatas e da Terra	Química
Davi Do Socorro Barros BRASIL		Ciências Exatas e da Terra	Química
Éder Tadeu Gomes CAVALHEIRO		Ciências Exatas e da Terra	Química
Emmanuela Ferreira De LIMA		Ciências Exatas e da Terra	Química
Geraldo Eduardo Da Luz JÚNIOR		Ciências Exatas e da Terra	Química
Hawbertt Rocha COSTA		Ciências Humanas	Educação
Jaldyr De Jesus Gomes Varela JÚNIOR		Ciências Exatas e da Terra	Química
Joaquim De Araújo NÓBREGA		Ciências Exatas e da Terra	Química
José Ciríaco PINHEIRO		Ciências Exatas e da Terra	Química
Karen Cacilda WEBER		Ciências Exatas e da Terra	Química
Kathia Maria HONORIO		Ciências Exatas e da Terra	Química
Lourivaldo Da Silva SANTOS		Ciências Agrárias	Recursos Florestais e Engenharia Florestal
Luiz Henrique FERREIRA		Ciências Exatas e da Terra	Química
Paula Homem De MELLO		Ciências Exatas e da Terra	Química
Yassuko IAMAMOTO		Ciências Exatas e da Terra	Química

Figura 1

Número de publicações por ano e por tipo

Todas as publicações do perfil

Figura 2

Categorias ASJC mais frequentes por ano

A cor dos pontos identifica a categoria predominante

Figura 3

Mapa de calor das categorias ASJC por ano

Frequências absolutas; cores mais escuras indicam mais publicações. Todas as categorias ASJC e anos disponíveis, sem aplicar os filtros da página.

Escala: 0 → 19

Mapa de calor das categorias ASJC por ano
Categoria ASJC	1984	1985	1986	1987	1988	1989	1990	1991	1992	1993	1994	1995	1996	1997	1998	1999	2000	2001	2002	2003	2004	2005	2006	2007	2008	2009	2010	2011	2012	2013	2014	2015	2016	2017	2018	2019	2020	2021	2022	2023
1606 · Physical and Theoretical Chemistry	1	2	1	3	2	3	4	2	2	5	2	8	6	3	4	8	0	12	2	11	12	19	7	4	3	3	2	3	2	3	4	6	2	2	1	2	2	1	2	1
1605 · Organic Chemistry	0	0	1	0	0	0	0	0	0	0	0	1	2	0	3	0	2	5	6	10	7	2	2	3	1	1	1	1	0	3	1	1	0	2	2	0	2	0	0	0
1303 · Biochemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	2	2	0	1	1	2	1	1	2	0	0	2	1	0	0	0	0	1	0	0	1	0	0
1601 · Chemistry (miscellaneous)	0	0	0	0	0	0	0	0	1	0	0	1	0	0	2	1	1	0	2	2	1	1	1	0	1	0	0	0	1	0	0	1	0	0	0	0	0	0	0	0
3107 · Atomic and Molecular Physics; and Optics	0	0	0	0	1	1	0	0	0	0	0	0	1	3	0	2	0	0	0	0	1	1	0	1	1	4	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1301 · Biochemistry; Genetics and Molecular Biology (miscellaneous)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	2	1	2	1	0	0	0	1	0	0	1	3	0	0	1	0	0	0	1	0	0
3002 · Drug Discovery	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	1	1	0	0	2	0	1	0	2	0	0	0	0	0	0	1	1	3	0	0
1602 · Analytical Chemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	3	2	1	0	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0
1603 · Electrochemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	2	1	2	1	0	1	0	0	0	0	0	0	1	0	0	0	0	0	0	0
1604 · Inorganic Chemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	4	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
3304 · Education	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	2	2	3	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
3004 · Pharmacology	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	1	0	2	1	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
1607 · Spectroscopy	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	2	0	0	0	0	0	0	0	1	1	0	0	2	0	0	0	0	0	0	0
1103 · Animal Science and Zoology	0	0	0	0	0	0	0	0	0	0	0	0	2	0	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1311 · Genetics	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0
3001 · Pharmacology; Toxicology and Pharmaceutics (miscellaneous)	0	0	0	0	0	0	0	0	0	0	0	0	0	2	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
1000 · Multidisciplinary	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1702 · Artificial Intelligence	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0
2610 · Mathematical Physics	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0
3103 · Astronomy and Astrophysics	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2	0	0	0	0	0
1106 · Food Science	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1308 · Clinical Biochemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1503 · Catalysis	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2404 · Microbiology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
2716 · Genetics (clinical)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
1101 · Agricultural and Biological Sciences (miscellaneous)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1304 · Biophysics	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
1313 · Molecular Medicine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1315 · Structural Biology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2301 · Environmental Science (miscellaneous)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2304 · Environmental Chemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2405 · Parasitology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
2504 · Electronic; Optical and Magnetic Materials	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
2612 · Numerical Analysis	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2704 · Biochemistry (medical)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0
2736 · Pharmacology (medical)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0
2916 · Nutrition and Dietetics	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
3005 · Toxicology	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0
3100 · General Physics and Astronomy	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
3104 · Condensed Matter Physics	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0

Ano	Tipo	Registro	Área temática e categoria ASJC
	Tipo de Publicação	Registro	Área temática e categoria ASJC
2015	Artigo em periódico	Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization Celeste RICARDO; Maringolo Milena P; Comar MOACYR; Viana Rommel B; Guimarães Amanda R et al Journal of Molecular Modeling (Print) DOI 10.1007/s00894-015-2813-z ISSN 1610-2940	PS Physical and Theoretical Chemistry
2014	Artigo em periódico	CO bonding in FeN4 complexes and the effect of the macrocycle ligand: A DFT study Silva Adilson Luís PEREIRA; De Almeida Luciano FARIAS; Marques Aldaléa Lopes BRANDES; Varela Jaldyr De Jesus GOMES; Tanaka Auro ATSUSHI et al Polyhedron DOI 10.1016/j.poly.2013.08.044 ISSN 0277-5387	LS Biochemistry; Genetics and Molecular Biology (miscellaneous)
2014	Artigo em periódico	Pattern Recognition Techniques Applied to the Study of Leishmanial Glyceraldehyde-3-Phosphate Dehydrogenase Inhibition Lozano NORKA; Oliveira RAFAEL; Weber KAREN; Honorio KATHIA; Guido RAFAEL et al International Journal of Molecular Sciences (Online) DOI 10.3390/ijms15023186 ISSN 1422-0067	LS Parasitology
2014	Artigo em periódico	Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes; and effect of the macrocyclic ligand Silva Adilson Luís PEREIRA; Almeida Luciano FARIAS; Marques Aldaléa Lopes BRANDES; Costa Hawbertt ROCHA; Tanaka Auro ATSUSHI et al Journal of Molecular Modeling (Print) DOI 10.1007/s00894-014-2131-x ISSN 1610-2940	LS Biochemistry; Genetics and Molecular Biology (miscellaneous)
2014	Artigo em periódico	Molecular Features Related to HIV Integrase Inhibition Obtained from Structure- and Ligand-Based Approaches De Carvalho Luciana L; Maltarollo Vinícius G; De Lima Emmanuela FERREIRA; Weber Karen C; Honorio Kathia M et al Plos One DOI 10.1371/journal.pone.0081301 ISSN 1932-6203	LS Pharmacology; Toxicology and Pharmaceutics (miscellaneous)
2014	Artigo em periódico	Molecular properties of the PCO radical: heat of formation and the isomerization pathways Viana Rommel B; Guimarães Amanda R; Souza Aguinaldo R; Albérico Borges Ferreira Da SILVA Journal of Molecular Modeling (Print) DOI 10.1007/s00894-014-2074-2 ISSN 1610-2940	PS Physical and Theoretical Chemistry
2014	Artigo em periódico	On the stability of the RuCl2(triphenylphosphine)2(amine) complexes: ligand substituent effects of cyclic and acyclic amines Viana Rommel B; De Souza Aguinaldo R; Lima Neto Benedito S; Albérico Borges Ferreira Da SILVA Polyhedron DOI 10.1016/j.poly.2014.07.028 ISSN 0277-5387	PS Organic Chemistry
2014	Artigo em periódico	The CH3PH2 and CH3PH isomers: isomerization; hydrogen release; thermodynamic; and spectroscopy properties Viana Rommel B; Albérico Borges Ferreira Da SILVA Journal of Molecular Modeling (Print) DOI 10.1007/s00894-014-2372-8 ISSN 1610-2940	PS Physical and Theoretical Chemistry
2014	Artigo em periódico	Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-ζ Quality: (aug-)RPF-4Z. II. The d-Block Elements Teodoro Tiago QUEVEDO; Albérico Borges Ferreira Da SILVA; Haiduke Roberto Luiz ANDRADE Journal of Chemical Theory and Computation DOI 10.1021/ct500804j ISSN 1549-9618	PS Physical and Theoretical Chemistry
2014	Artigo em periódico	Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-ζ Quality: (aug-)RPF-4Z. I. The s</i> - and p</i> -Block Elements Teodoro Tiago QUEVEDO; Albérico Borges Ferreira Da SILVA; Haiduke Roberto Luiz ANDRADE Journal of Chemical Theory and Computation DOI 10.1021/ct500518n ISSN 1549-9618	PS Physical and Theoretical Chemistry
2014	Artigo em periódico	Understanding the cytotoxicity or cytoprotective effects of biological and synthetic quinone derivatives by redox mechanism Borges Rosivaldo S; Carneiro Agnaldo S; Barros Tainá G; Barros Carlos A L; Neto Antonio M J CHAVES et al Journal of Molecular Modeling (Print) DOI 10.1007/s00894-014-2541-9 ISSN 1610-2940	LS Biochemistry; Genetics and Molecular Biology (miscellaneous)
2013	Capítulo de livro	Applications of Artificial Neural Networks in Chemical Problems. Albérico Borges Ferreira Da SILVA Artificial Neural Networks ISBN 9789535109358	PS Artificial Intelligence
2013	Artigo em periódico	A Theoretical Study of the Dapsone Derivatives on Methemoglobin R S BORGES; Joyce Karen Lima VALE; Taysa R SCHALCHER; Eduardo D ALMEIDA; E ORESTES et al Journal of Computational and Theoretical Nanoscience DOI 10.1166/jctn.2013.3165 ISSN 1546-1955	PS Physical and Theoretical Chemistry
2013	Artigo em periódico	Coordination Ability of Polyether and Polyamine Ligands: A Density Functional Theory Study of First- and Second-Row Transition Metals Francisco Chagas Alves LIMA; Rommel B VIANA; José Walkimar M CARNEIRO; M Comar JR; Albérico Borges Ferreira Da SILVA Journal of Computational and Theoretical Nanoscience DOI 10.1166/jctn.2013.3166 ISSN 1546-1955	PS Physical and Theoretical Chemistry
2013	Artigo em periódico	A combined experimental and theoretical approach for radical-scavenging activity of edaravone and its related derivatives R S BORGES; Auriekson N QUEIROZ; Joseane R SILVA; Ana P S MENDES; Anderson M HERCULANO et al Structural Chemistry DOI 10.1007/s11224-012-0070-7 ISSN 1040-0400	PS Organic Chemistry
2013	Artigo em periódico	4-hydroxy-2;5-dimethylphenyl benzophenone: conformational stability; FT-IR and Raman investigation Rommel B VIANA; Evania Danieli Andrade SANTOS; Leidy J VALENCIA; Rivelino Martins CAVALCANTE; Edson Barbosa Da COSTA et al Spectrochimica Acta. Part A; Molecular and Biomolecular Spectroscopy (Print) DOI 10.1016/j.saa.2012.09.094 ISSN 1386-1425	PS Spectroscopy
2013	Artigo em periódico	Design and Evaluation of 4-Aminophenol and Salicylate Derivatives as Free-Radical Scavenger Borges Rosivaldo S; Pereira Glaécia A N; Vale Joyce K L; França Luiz C S; Monteiro Marta C et al Chemical Biology & Drug Design (Print) DOI 10.1111/cbdd.12096 ISSN 1747-0277	PS Organic Chemistry
2013	Artigo em periódico	The tautomerism influence on the antioxidant prediction of oxederavone Brígida Sheise A S; Orestes EDNILSON; Barros Tainá G; Barros Carlos A L; Carneiro Agnaldo S et al Medicinal Chemistry Research (Print) DOI 10.1007/s00044-013-0553-0 ISSN 1054-2523	PS Organic Chemistry
2013	Artigo em periódico	Identification of Electronic and Structural Descriptors of Adenosine Analogues Related to Inhibition of Leishmanial Glyceraldehyde-3-Phosphate Dehydrogenase Lozano NORKA; Oliveira RAFAEL; Weber KAREN; Honorio KATHIA; Guido RAFAEL et al Molecules (Basel. Online) DOI 10.3390/molecules18055032 ISSN 1420-3049	LS Genetics
2013	Artigo em periódico	Evaluation and Theoretical Study on the Anti-inflammatory Mechanism of 1-Nitro-2-phenylethane Vale JOYCE; Lima ANDERSON; Pinheiro BRUNO; Cardoso ALESSANDRA; Silva JOYCE et al Planta Medica DOI 10.1055/s-0032-1328402 ISSN 0032-0943	LS Biochemistry; Genetics and Molecular Biology (miscellaneous)
2013	Artigo em periódico	Supramolecular assembly of the potassium piperidine-4-carbodithioate dehydrate by using X-ray diffraction and DFT calculations Mafud Ana C; Sanches Edgar A; Simone Carlos A; Albérico Borges Ferreira Da SILVA; Gambardella Maria T P Journal of Molecular Structure (Print) DOI 10.1016/j.molstruc.2013.02.038 ISSN 0022-2860	PS Physical and Theoretical Chemistry
2013	Artigo em periódico	Understanding the Molecular Aspects of Tetrahydrocannabinol and Cannabidiol as Antioxidants Borges ROSIVALDO; Batista Jr JOÃO; Viana ROMMEL; Baetas ANA; Ednilsom ORESTES et al Molecules (Basel. Online) DOI 10.3390/molecules181012663 ISSN 1420-3049	LS Biochemistry
2013	Artigo em periódico	Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay Wiggers Helton J; Rocha Josmar R; Fernandes William B; Sesti Costa RENATA; Carneiro Zumira A et al PLoS Neglected Tropical Diseases (Online) DOI 10.1371/journal.pntd.0002370 ISSN 1935-2735	LS Microbiology
2012	Artigo em periódico	First- and second-row transition metal complexes of an oxa-aza macrocyclic Ligand: a DFT study of an octahedral conformation Francisco Chagas Alves LIMA; Rommel B VIANA; Thais T Da SILVA; Solange M S V WARDELL; Armando P Do Nascimento FILHO et al Journal of Molecular Modeling DOI 10.1007/s00894-011-1323-x ISSN 1610-2940	PS Physical and Theoretical Chemistry
2012	Artigo em periódico	Metal binding selectivity of an oxa-aza macrocyclic Ligand: a DFT study of first- and second-row transition metals in a four coordination system Francisco Chagas Alves LIMA; Rommel B VIANA; José Walkimar M CARNEIRO; M Comar JR; Albérico Borges Ferreira Da SILVA Structural Chemistry DOI 10.1007/s11224-012-9950-0 ISSN 1040-0400	PS Physical and Theoretical Chemistry

2015 Artigo em periódico

PS Physical and Theoretical Chemistry

Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization

Journal of Molecular Modeling (Print)

Celeste RICARDO; Maringolo Milena P; Comar MOACYR; Viana Rommel B; Guimarães Amanda R et al

DOI ISSN 1610-2940

2014 Artigo em periódico

LS Biochemistry; Genetics and Molecular Biology (miscellaneous)

CO bonding in FeN4 complexes and the effect of the macrocycle ligand: A DFT study

Polyhedron

Silva Adilson Luís PEREIRA; De Almeida Luciano FARIAS; Marques Aldaléa Lopes BRANDES; Varela Jaldyr De Jesus GOMES; Tanaka Auro ATSUSHI et al

DOI ISSN 0277-5387

2014 Artigo em periódico

LS Parasitology

Pattern Recognition Techniques Applied to the Study of Leishmanial Glyceraldehyde-3-Phosphate Dehydrogenase Inhibition

International Journal of Molecular Sciences (Online)

Lozano NORKA; Oliveira RAFAEL; Weber KAREN; Honorio KATHIA; Guido RAFAEL et al

DOI ISSN 1422-0067

2014 Artigo em periódico

LS Biochemistry; Genetics and Molecular Biology (miscellaneous)

Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes; and effect of the macrocyclic ligand

Journal of Molecular Modeling (Print)

Silva Adilson Luís PEREIRA; Almeida Luciano FARIAS; Marques Aldaléa Lopes BRANDES; Costa Hawbertt ROCHA; Tanaka Auro ATSUSHI et al

DOI ISSN 1610-2940

2014 Artigo em periódico

LS Pharmacology; Toxicology and Pharmaceutics (miscellaneous)

Molecular Features Related to HIV Integrase Inhibition Obtained from Structure- and Ligand-Based Approaches

Plos One

De Carvalho Luciana L; Maltarollo Vinícius G; De Lima Emmanuela FERREIRA; Weber Karen C; Honorio Kathia M et al

DOI ISSN 1932-6203

2014 Artigo em periódico

PS Physical and Theoretical Chemistry

Molecular properties of the PCO radical: heat of formation and the isomerization pathways

Journal of Molecular Modeling (Print)

Viana Rommel B; Guimarães Amanda R; Souza Aguinaldo R; Albérico Borges Ferreira Da SILVA

DOI ISSN 1610-2940

2014 Artigo em periódico

PS Organic Chemistry

On the stability of the RuCl2(triphenylphosphine)2(amine) complexes: ligand substituent effects of cyclic and acyclic amines

Polyhedron

Viana Rommel B; De Souza Aguinaldo R; Lima Neto Benedito S; Albérico Borges Ferreira Da SILVA

DOI ISSN 0277-5387

2014 Artigo em periódico

PS Physical and Theoretical Chemistry

The CH3PH2 and CH3PH isomers: isomerization; hydrogen release; thermodynamic; and spectroscopy properties

Journal of Molecular Modeling (Print)

Viana Rommel B; Albérico Borges Ferreira Da SILVA

DOI ISSN 1610-2940

2014 Artigo em periódico

PS Physical and Theoretical Chemistry

Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-ζ Quality: (aug-)RPF-4Z. II. The d-Block Elements

Journal of Chemical Theory and Computation

Teodoro Tiago QUEVEDO; Albérico Borges Ferreira Da SILVA; Haiduke Roberto Luiz ANDRADE

DOI ISSN 1549-9618

2014 Artigo em periódico

PS Physical and Theoretical Chemistry

Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-ζ Quality: (aug-)RPF-4Z. I. The s</i> - and p</i> -Block Elements

Journal of Chemical Theory and Computation

Teodoro Tiago QUEVEDO; Albérico Borges Ferreira Da SILVA; Haiduke Roberto Luiz ANDRADE

DOI ISSN 1549-9618

2014 Artigo em periódico

LS Biochemistry; Genetics and Molecular Biology (miscellaneous)

Understanding the cytotoxicity or cytoprotective effects of biological and synthetic quinone derivatives by redox mechanism

Journal of Molecular Modeling (Print)

Borges Rosivaldo S; Carneiro Agnaldo S; Barros Tainá G; Barros Carlos A L; Neto Antonio M J CHAVES et al

DOI ISSN 1610-2940

2013 Capítulo de livro

PS Artificial Intelligence

Applications of Artificial Neural Networks in Chemical Problems.

Artificial Neural Networks

Albérico Borges Ferreira Da SILVA

ISBN 9789535109358

2013 Artigo em periódico

PS Physical and Theoretical Chemistry

A Theoretical Study of the Dapsone Derivatives on Methemoglobin

Journal of Computational and Theoretical Nanoscience

R S BORGES; Joyce Karen Lima VALE; Taysa R SCHALCHER; Eduardo D ALMEIDA; E ORESTES et al

DOI ISSN 1546-1955

2013 Artigo em periódico

PS Physical and Theoretical Chemistry

Coordination Ability of Polyether and Polyamine Ligands: A Density Functional Theory Study of First- and Second-Row Transition Metals

Journal of Computational and Theoretical Nanoscience

Francisco Chagas Alves LIMA; Rommel B VIANA; José Walkimar M CARNEIRO; M Comar JR; Albérico Borges Ferreira Da SILVA

DOI ISSN 1546-1955

2013 Artigo em periódico

PS Organic Chemistry

A combined experimental and theoretical approach for radical-scavenging activity of edaravone and its related derivatives

Structural Chemistry

R S BORGES; Auriekson N QUEIROZ; Joseane R SILVA; Ana P S MENDES; Anderson M HERCULANO et al

DOI ISSN 1040-0400

2013 Artigo em periódico

PS Spectroscopy

4-hydroxy-2;5-dimethylphenyl benzophenone: conformational stability; FT-IR and Raman investigation

Spectrochimica Acta. Part A; Molecular and Biomolecular Spectroscopy (Print)

Rommel B VIANA; Evania Danieli Andrade SANTOS; Leidy J VALENCIA; Rivelino Martins CAVALCANTE; Edson Barbosa Da COSTA et al

DOI ISSN 1386-1425

2013 Artigo em periódico

PS Organic Chemistry

Design and Evaluation of 4-Aminophenol and Salicylate Derivatives as Free-Radical Scavenger

Chemical Biology & Drug Design (Print)

Borges Rosivaldo S; Pereira Glaécia A N; Vale Joyce K L; França Luiz C S; Monteiro Marta C et al

DOI ISSN 1747-0277

2013 Artigo em periódico

PS Organic Chemistry

The tautomerism influence on the antioxidant prediction of oxederavone

Medicinal Chemistry Research (Print)

Brígida Sheise A S; Orestes EDNILSON; Barros Tainá G; Barros Carlos A L; Carneiro Agnaldo S et al

DOI ISSN 1054-2523

2013 Artigo em periódico

LS Genetics

Identification of Electronic and Structural Descriptors of Adenosine Analogues Related to Inhibition of Leishmanial Glyceraldehyde-3-Phosphate Dehydrogenase

Molecules (Basel. Online)

Lozano NORKA; Oliveira RAFAEL; Weber KAREN; Honorio KATHIA; Guido RAFAEL et al

DOI ISSN 1420-3049

2013 Artigo em periódico

LS Biochemistry; Genetics and Molecular Biology (miscellaneous)

Evaluation and Theoretical Study on the Anti-inflammatory Mechanism of 1-Nitro-2-phenylethane

Planta Medica

Vale JOYCE; Lima ANDERSON; Pinheiro BRUNO; Cardoso ALESSANDRA; Silva JOYCE et al

DOI ISSN 0032-0943

2013 Artigo em periódico

PS Physical and Theoretical Chemistry

Supramolecular assembly of the potassium piperidine-4-carbodithioate dehydrate by using X-ray diffraction and DFT calculations

Journal of Molecular Structure (Print)

Mafud Ana C; Sanches Edgar A; Simone Carlos A; Albérico Borges Ferreira Da SILVA; Gambardella Maria T P

DOI ISSN 0022-2860

2013 Artigo em periódico

LS Biochemistry

Understanding the Molecular Aspects of Tetrahydrocannabinol and Cannabidiol as Antioxidants

Molecules (Basel. Online)

Borges ROSIVALDO; Batista Jr JOÃO; Viana ROMMEL; Baetas ANA; Ednilsom ORESTES et al

DOI ISSN 1420-3049

2013 Artigo em periódico

LS Microbiology

Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay

PLoS Neglected Tropical Diseases (Online)

Wiggers Helton J; Rocha Josmar R; Fernandes William B; Sesti Costa RENATA; Carneiro Zumira A et al

DOI ISSN 1935-2735

2012 Artigo em periódico

PS Physical and Theoretical Chemistry

First- and second-row transition metal complexes of an oxa-aza macrocyclic Ligand: a DFT study of an octahedral conformation

Journal of Molecular Modeling

Francisco Chagas Alves LIMA; Rommel B VIANA; Thais T Da SILVA; Solange M S V WARDELL; Armando P Do Nascimento FILHO et al

DOI ISSN 1610-2940

2012 Artigo em periódico

PS Physical and Theoretical Chemistry

Metal binding selectivity of an oxa-aza macrocyclic Ligand: a DFT study of first- and second-row transition metals in a four coordination system

Structural Chemistry

Francisco Chagas Alves LIMA; Rommel B VIANA; José Walkimar M CARNEIRO; M Comar JR; Albérico Borges Ferreira Da SILVA

DOI ISSN 1040-0400