Rodrigo Gester

Dados pessoais

Lattes
Grupos de Pesquisa
Genealogia Acadêmica

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

Publicações

Total: 93

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
Antonio Maia De Jesus Chaves NETO		Engenharias	Engenharia Química
Divanizia Do Nascimento SOUZA		Engenharias	Engenharia Nuclear
Fernanda Carla Lima FERREIRA		Ciências Exatas e da Terra	Física
Francisco Ferreira De SOUSA		Ciências Exatas e da Terra	Física
Heriberto Rodrigues BITENCOURT		Ciências Exatas e da Terra	Química
Jordan Del NERO		Ciências Exatas e da Terra	Física
Luiz Moreira GOMES		Engenharias	Engenharia Mecânica
Patricia Santana Barbosa MARINHO		Ciências Exatas e da Terra	Química
Shirsley Joany Dos Santos Da SILVA		Ciências Exatas e da Terra	Física

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 → 5

Mapa de calor das categorias ASJC por ano
Categoria ASJC	2005	2006	2007	2008	2009	2010	2012	2014	2015	2017	2018	2019	2020	2021	2022	2023	2024	2025	2026
1606 · Physical and Theoretical Chemistry	5	1	0	2	3	1	1	1	0	1	0	3	2	5	2	5	5	2	3
3104 · Condensed Matter Physics	2	3	3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
3107 · Atomic and Molecular Physics; and Optics	0	2	0	0	2	0	0	0	0	0	0	0	0	1	0	1	0	1	1
1605 · Organic Chemistry	0	0	0	0	1	0	0	0	0	0	1	0	1	0	1	0	1	1	1
1607 · Spectroscopy	0	1	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	2
2505 · Materials Chemistry	0	1	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0
1301 · Biochemistry; Genetics and Molecular Biology (miscellaneous)	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0	0	0	0
1303 · Biochemistry	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1
1402 · Accounting	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0
3101 · Physics and Astronomy (miscellaneous)	0	0	0	0	0	0	0	0	1	1	0	0	0	0	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	1	0
1305 · Biotechnology	0	0	0	1	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	1	0	0	0
1601 · Chemistry (miscellaneous)	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1706 · Computer Science Applications	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
2501 · Materials Science (miscellaneous)	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0
2504 · Electronic; Optical and Magnetic Materials	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0
2605 · Computational Mathematics	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2612 · Numerical Analysis	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2614 · Theoretical Computer Science	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0
3103 · Astronomy and Astrophysics	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
3304 · Education	0	0	0	0	0	0	0	0	0	1	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
2023	Artigo em periódico	The role of the solvent and intramolecular hydrogen bonds in the antioxidative mechanism of prenylisoflavone from leaves of Vatairea guianensis Sávio FONSECA; Neidy Dos SANTOS; Alberto TORRES; Marcelo SIQUEIRA; Antonio Rodrigues Da CUNHA et al JOURNAL OF PHYSICAL CHEMISTRY A DOI 10.1021/acs.jpca.3c05725 ISSN 1089-5639	PS Physical and Theoretical Chemistry
2023	Artigo em periódico	Assessing the dipolar-octupolar NLO behavior of substituted thiosemicarbazone assemblies Rodrigo Do Monte GESTER; Marcelo SIQUEIRA; Antonio Rodrigues Da CUNHA; Raiane Sodré ARAÚJO; Patricio F PROVASI et al CHEMICAL PHYSICS LETTERS DOI 10.1016/j.cplett.2023.140807 ISSN 0009-2614	PS Physical and Theoretical Chemistry
2022	Artigo em periódico	Analysis of Electronic; Reactivity; and NLO Properties of a Reactive Orange Dye Sávio FONSECA; Lucas SANTOS; Regina PEREIRA; Lucas Modesto COSTA; Antonio Rodrigues Da CUNHA et al JOURNAL OF MOLECULAR MODELING DOI 10.1007/s00894-022-05035-9 ISSN 1610-2940	PS Physical and Theoretical Chemistry
2022	Artigo em periódico	Designing a novel organometallic chalcone with an enormous second-harmonic generation response Sávio FONSECA; Lucas Modesto COSTA; Erix Milán GARCÉS; Tarcisio Andrade FILHO; Rodrigo Do Monte GESTER et al Materials Today Communications DOI 10.1016/j.mtcomm.2022.103762 ISSN 2352-4928	PS Organic Chemistry
2022	Artigo em periódico	Understanding the Stokes shift and nonlinear optical behavior of 1-nitro-2-phenylethane: A sequential Monte Carlo/Quantum Mechanics discussion Franco F ALMEIDA; Lucas Modesto COSTA; Antonio Rodrigues Da CUNHA; Darlisson A SANTOS; Tarciso Silva De Andrade FILHO et al CHEMICAL PHYSICS LETTERS DOI 10.1016/j.cplett.2022.139867 ISSN 0009-2614	PS Physical and Theoretical Chemistry
2021	Artigo em periódico	Experimental and theoretical spectroscopic characterization; NLO response; and reactivity of the pharmacological agent spilanthol and analogues Antonio Raiol Palheta JUNIOR; Mayra PINHEIRO; Ezequiel BELO; Antonio Rodrigues Da CUNHA; Andrey MARINHO et al JOURNAL OF MOLECULAR STRUCTURE DOI 10.1016/j.molstruc.2020.129423 ISSN 0022-2860	PS Spectroscopy
2021	Artigo em periódico	Insights on the crossing of the two lowest <math altimg=''si93.svg''> <mrow> <mi>n</mi> <mo linebreak=''badbreak''>-</mo> <msup> <mrow> <mi>π</mi> </mrow> <mrow> <mo>∗</mo> </mrow> </msup> </mrow> </math> and <math altimg=''si94.svg''> </math> Gonçalves ALEXANDRE; Raiol ANTONIO; Da Cunha Antonio R; Manzoni VINÍCIUS; Andrade Filho TARCISO et al CHEMICAL PHYSICS LETTERS DOI 10.1016/j.cplett.2021.138366 ISSN 0009-2614	PS Physical and Theoretical Chemistry
2021	Artigo em periódico	Solvent effects on Stokes shifts; and NLO response of thieno[3;4-b]pyrazine: A comprehensive QM/MM investigation Manzoni VINÍCIUS; Rogerio GESTER; Antonio Rodrigues Da CUNHA; Andrade Filho TARCISO; Rodrigo Do Monte GESTER JOURNAL OF MOLECULAR LIQUIDS DOI 10.1016/j.molliq.2021.115996 ISSN 0167-7322	PS Physical and Theoretical Chemistry
2021	Artigo em periódico	Theoretical investigation of adsorption of kojic acid on carbon nanotubes. Jessica DIAS; Gisele RAMOS; Patricia MARINHO; Rodrigo Do Monte GESTER; Tarcisio Andrade FILHO MATERIALS LETTERS DOI 10.1016/j.matlet.2021.129769 ISSN 0167-577X	PS Materials Chemistry
2021	Artigo em periódico	Solvent enhancement and isomeric effects on the NLO properties of a photoinduced cis-trans azomethine chromophore: A sequential MC/QM study Raiol ANTONIO; Antonio Rodrigues Da CUNHA; Tarcisio Andrade FILHO; Rodrigo Do Monte GESTER JOURNAL OF MOLECULAR LIQUIDS DOI 10.1016/j.molliq.2021.116887 ISSN 0167-7322	PS Physical and Theoretical Chemistry
2021	Artigo em periódico	Adsorption study of 4-nitrophenol onto kaolinite (001) surface: A van der Waals density functional study Edivânia SANTANA; Rosângela Dala POSSA; Erico Raimundo Pereira De NOVAIS; Manzoni VINÍCIUS; Andréa De Lima Ferreira NOVAIS et al MATERIALS CHEMISTRY AND PHYSICS DOI 10.1016/j.matchemphys.2021.124887 ISSN 0254-0584	PS Materials Chemistry
2021	Artigo em periódico	Hydration-dependent band gap tunability of self-assembled phenylalanyl tryptophan nanotubes Hugo A De Souza FREITAS; Antônino MAIA; Francisco Ferreira De SOUZA; Rodrigo Do Monte GESTER; Rodrigo G AMORIM et al PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES DOI 10.1016/j.physe.2021.114910 ISSN 1386-9477	PS Atomic and Molecular Physics; and Optics
2021	Artigo em periódico	Prediction of electronic and vibrational properties of Poly (hexamethylene biguanide) Hydrochloride: A combined theoretical and experimental investigation A M RODRIGUES; Simone Yassue Simote SILVA; Marilene Nunes De OLIVEIRA; G C A De OLIVEIRA; Andréa De Lima Ferreira NOVAIS et al JOURNAL OF MOLECULAR STRUCTURE DOI 10.1016/j.molstruc.2021.131176 ISSN 0022-2860	LS Biochemistry; Genetics and Molecular Biology (miscellaneous)
2021	Artigo em periódico	Insights and modelling on the nonlinear optical response; reactivity; and structure of chalcones and dihydrochalcones Andrade Filho TARCISO; Silva TÉRCIO; Ezequiel BELO; Raiol ANTONIO; De Oliveira Raira V S et al JOURNAL OF MOLECULAR STRUCTURE DOI 10.1016/j.molstruc.2021.131182 ISSN 0022-2860	PS Physical and Theoretical Chemistry
2021	Artigo em periódico	Theoretical study of thieno[3;4-b]pyrazines derivatives with enhanced NLO response Rodrigo Do Monte GESTER; Alberto TORRES; Antonio Rodrigues Da CUNHA; Tarciso Silva De Andrade FILHO; Manzoni VINÍCIUS CHEMICAL PHYSICS LETTERS DOI 10.1016/j.cplett.2021.138976 ISSN 0009-2614	PS Physical and Theoretical Chemistry
2020	Artigo em periódico	Theoretical study of the adsorption of diphenylalanine on pristine graphene Darcy A Silva ALVES; Antônino MAIA; Rodrigo Do Monte GESTER; Tarcisio Andrade FILHO THEORETICAL CHEMISTRY ACCOUNTS DOI 10.1007/s00214-020-02594-z ISSN 1432-881X	SH Accounting
2020	Artigo em periódico	Theoretical study of a recently synthesized azo dyes useful for OLEDs Rodrigo Do Monte GESTER; Alberto TORRES; Bistafa CARLOS; Raiane Sodré ARAÚJO; Tércio Almeida Da SILVA et al MATERIALS LETTERS DOI 10.1016/j.matlet.2020.128535 ISSN 0167-577X	PS Electronic; Optical and Magnetic Materials
2020	Artigo em periódico	Theoretical analysis of the influence of C-H...O bonds on the NMR constants of uracil in DMSO Rodrigo Do Monte GESTER; Ramiro S Galeano CARRANO; Patricio F PROVASI; Carlos BISTAFA; Sylvio CANUTO THEORETICAL CHEMISTRY ACCOUNTS DOI 10.1007/s00214-020-02670-4 ISSN 1432-881X	PS Physical and Theoretical Chemistry
2020	Artigo em periódico	Electron Scattering Processes in Steroid Molecules via NEGF-DFT: The Opening of Conduction Channels by Central Oxygen Denner FERREIRA; Werbeston D OLIVEIRA; Ezequiel BELO; Rodrigo Do Monte GESTER; Antônino MAIA et al JOURNAL OF MOLECULAR GRAPHICS & MODELLING DOI 10.1016/j.jmgm.2020.107755 ISSN 1093-3263	PS Theoretical Computer Science
2020	Artigo em periódico	Encapsulation Ability of Silicon Carbide and Boron Nitride Nanotubes for Spilanthol Molecule Tarcisio Andrade FILHO; Antônino MAIA; Rodrigo Do Monte GESTER; Mayra PINHEIRO; Andrey MARINHO et al Journal of Nanostructure in Chemistry DOI 10.1007/s40097-020-00359-5 ISSN 2193-8865	PS Materials Science (miscellaneous)
2020	Artigo em periódico	A theoretical study of the magnetic shielding of 15N of formamide in liquid water Rodrigo Do Monte GESTER; Marcos Vinícius Araújo DAMASCENO; Sylvio CANUTO; Manzoni VINÍCIUS JOURNAL OF MOLECULAR LIQUIDS DOI 10.1016/j.molliq.2020.114415 ISSN 0167-7322	PS Physical and Theoretical Chemistry
2020	Artigo em periódico	Solvent polarity effects on thermochemical and NMR parameters of spilanthol pharmacological agent: an experimental and DFT investigation Pinheiro MAYRA; Da Cunha Antonio R; Marinho Andrey M R; Silva Simone Y S; Andrade Filho TARCISO et al STRUCTURAL CHEMISTRY DOI 10.1007/s11224-020-01573-1 ISSN 1040-0400	PS Organic Chemistry
2019	Artigo em periódico	Structural behavior of phenylalanine-tryptophan peptide nanotubes at anhydrous conditions: a theoretical investigation Freitas H A S; Saraiva A L J; Silva T A; Coutinho Filho C C; Fagury R L R P et al THEORETICAL CHEMISTRY ACCOUNTS DOI 10.1007/s00214-019-2457-7 ISSN 1432-881X	SH Accounting
2019	Artigo em periódico	Giant values obtained for first hyperpolarizabilities of methyl orange: a DFT investigation Pimenta Ângela C M; Tarcisio Andrade FILHO; Vinícius Manzoni VIEIRA; Del Nero JORDAN; Rodrigo GESTER THEORETICAL CHEMISTRY ACCOUNTS DOI 10.1007/s00214-018-2406-x ISSN 1432-881X	PS Physical and Theoretical Chemistry
2019	Artigo em periódico	Strong enhancement of NLO response of methyl orange dyes through solvent effects: A sequential Monte Carlo/DFT investigation Vinícius Manzoni VIEIRA; Modesto Costa LUCAS; Del Nero JORDAN; Andrade Filho TARCISO; Rodrigo GESTER OPTICAL MATERIALS DOI 10.1016/j.optmat.2019.05.018 ISSN 0925-3467	PS Physical and Theoretical Chemistry

2023 Artigo em periódico

PS Physical and Theoretical Chemistry

The role of the solvent and intramolecular hydrogen bonds in the antioxidative mechanism of prenylisoflavone from leaves of Vatairea guianensis

JOURNAL OF PHYSICAL CHEMISTRY A

Sávio FONSECA; Neidy Dos SANTOS; Alberto TORRES; Marcelo SIQUEIRA; Antonio Rodrigues Da CUNHA et al

DOI ISSN 1089-5639

2023 Artigo em periódico

PS Physical and Theoretical Chemistry

Assessing the dipolar-octupolar NLO behavior of substituted thiosemicarbazone assemblies

CHEMICAL PHYSICS LETTERS

Rodrigo Do Monte GESTER; Marcelo SIQUEIRA; Antonio Rodrigues Da CUNHA; Raiane Sodré ARAÚJO; Patricio F PROVASI et al

DOI ISSN 0009-2614

2022 Artigo em periódico

PS Physical and Theoretical Chemistry

Analysis of Electronic; Reactivity; and NLO Properties of a Reactive Orange Dye

JOURNAL OF MOLECULAR MODELING

Sávio FONSECA; Lucas SANTOS; Regina PEREIRA; Lucas Modesto COSTA; Antonio Rodrigues Da CUNHA et al

DOI ISSN 1610-2940

2022 Artigo em periódico

PS Organic Chemistry

Designing a novel organometallic chalcone with an enormous second-harmonic generation response

Materials Today Communications

Sávio FONSECA; Lucas Modesto COSTA; Erix Milán GARCÉS; Tarcisio Andrade FILHO; Rodrigo Do Monte GESTER et al

DOI ISSN 2352-4928

2022 Artigo em periódico

PS Physical and Theoretical Chemistry

Understanding the Stokes shift and nonlinear optical behavior of 1-nitro-2-phenylethane: A sequential Monte Carlo/Quantum Mechanics discussion

CHEMICAL PHYSICS LETTERS

Franco F ALMEIDA; Lucas Modesto COSTA; Antonio Rodrigues Da CUNHA; Darlisson A SANTOS; Tarciso Silva De Andrade FILHO et al

DOI ISSN 0009-2614

2021 Artigo em periódico

PS Spectroscopy

Experimental and theoretical spectroscopic characterization; NLO response; and reactivity of the pharmacological agent spilanthol and analogues

JOURNAL OF MOLECULAR STRUCTURE

Antonio Raiol Palheta JUNIOR; Mayra PINHEIRO; Ezequiel BELO; Antonio Rodrigues Da CUNHA; Andrey MARINHO et al

DOI ISSN 0022-2860

2021 Artigo em periódico

PS Physical and Theoretical Chemistry

Insights on the crossing of the two lowest <math altimg=''si93.svg''> <mrow> <mi>n</mi> <mo linebreak=''badbreak''>-</mo> <msup> <mrow> <mi>π</mi> </mrow> <mrow> <mo>∗</mo> </mrow> </msup> </mrow> </math> and <math altimg=''si94.svg''> </math>

CHEMICAL PHYSICS LETTERS

Gonçalves ALEXANDRE; Raiol ANTONIO; Da Cunha Antonio R; Manzoni VINÍCIUS; Andrade Filho TARCISO et al

DOI ISSN 0009-2614

2021 Artigo em periódico

PS Physical and Theoretical Chemistry

Solvent effects on Stokes shifts; and NLO response of thieno[3;4-b]pyrazine: A comprehensive QM/MM investigation

JOURNAL OF MOLECULAR LIQUIDS

Manzoni VINÍCIUS; Rogerio GESTER; Antonio Rodrigues Da CUNHA; Andrade Filho TARCISO; Rodrigo Do Monte GESTER

DOI ISSN 0167-7322

2021 Artigo em periódico

PS Materials Chemistry

Theoretical investigation of adsorption of kojic acid on carbon nanotubes.

MATERIALS LETTERS

Jessica DIAS; Gisele RAMOS; Patricia MARINHO; Rodrigo Do Monte GESTER; Tarcisio Andrade FILHO

DOI ISSN 0167-577X

2021 Artigo em periódico

PS Physical and Theoretical Chemistry

Solvent enhancement and isomeric effects on the NLO properties of a photoinduced cis-trans azomethine chromophore: A sequential MC/QM study

JOURNAL OF MOLECULAR LIQUIDS

Raiol ANTONIO; Antonio Rodrigues Da CUNHA; Tarcisio Andrade FILHO; Rodrigo Do Monte GESTER

DOI ISSN 0167-7322

2021 Artigo em periódico

PS Materials Chemistry

Adsorption study of 4-nitrophenol onto kaolinite (001) surface: A van der Waals density functional study

MATERIALS CHEMISTRY AND PHYSICS

Edivânia SANTANA; Rosângela Dala POSSA; Erico Raimundo Pereira De NOVAIS; Manzoni VINÍCIUS; Andréa De Lima Ferreira NOVAIS et al

DOI ISSN 0254-0584

2021 Artigo em periódico

PS Atomic and Molecular Physics; and Optics

Hydration-dependent band gap tunability of self-assembled phenylalanyl tryptophan nanotubes

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Hugo A De Souza FREITAS; Antônino MAIA; Francisco Ferreira De SOUZA; Rodrigo Do Monte GESTER; Rodrigo G AMORIM et al

DOI ISSN 1386-9477

2021 Artigo em periódico

LS Biochemistry; Genetics and Molecular Biology (miscellaneous)

Prediction of electronic and vibrational properties of Poly (hexamethylene biguanide) Hydrochloride: A combined theoretical and experimental investigation

JOURNAL OF MOLECULAR STRUCTURE

A M RODRIGUES; Simone Yassue Simote SILVA; Marilene Nunes De OLIVEIRA; G C A De OLIVEIRA; Andréa De Lima Ferreira NOVAIS et al

DOI ISSN 0022-2860

2021 Artigo em periódico

PS Physical and Theoretical Chemistry

Insights and modelling on the nonlinear optical response; reactivity; and structure of chalcones and dihydrochalcones

JOURNAL OF MOLECULAR STRUCTURE

Andrade Filho TARCISO; Silva TÉRCIO; Ezequiel BELO; Raiol ANTONIO; De Oliveira Raira V S et al

DOI ISSN 0022-2860

2021 Artigo em periódico

PS Physical and Theoretical Chemistry

Theoretical study of thieno[3;4-b]pyrazines derivatives with enhanced NLO response

CHEMICAL PHYSICS LETTERS

Rodrigo Do Monte GESTER; Alberto TORRES; Antonio Rodrigues Da CUNHA; Tarciso Silva De Andrade FILHO; Manzoni VINÍCIUS

DOI ISSN 0009-2614

2020 Artigo em periódico

SH Accounting

Theoretical study of the adsorption of diphenylalanine on pristine graphene

THEORETICAL CHEMISTRY ACCOUNTS

Darcy A Silva ALVES; Antônino MAIA; Rodrigo Do Monte GESTER; Tarcisio Andrade FILHO

DOI ISSN 1432-881X

2020 Artigo em periódico

PS Electronic; Optical and Magnetic Materials

Theoretical study of a recently synthesized azo dyes useful for OLEDs

MATERIALS LETTERS

Rodrigo Do Monte GESTER; Alberto TORRES; Bistafa CARLOS; Raiane Sodré ARAÚJO; Tércio Almeida Da SILVA et al

DOI ISSN 0167-577X

2020 Artigo em periódico

PS Physical and Theoretical Chemistry

Theoretical analysis of the influence of C-H...O bonds on the NMR constants of uracil in DMSO

THEORETICAL CHEMISTRY ACCOUNTS

Rodrigo Do Monte GESTER; Ramiro S Galeano CARRANO; Patricio F PROVASI; Carlos BISTAFA; Sylvio CANUTO

DOI ISSN 1432-881X

2020 Artigo em periódico

PS Theoretical Computer Science

Electron Scattering Processes in Steroid Molecules via NEGF-DFT: The Opening of Conduction Channels by Central Oxygen

JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Denner FERREIRA; Werbeston D OLIVEIRA; Ezequiel BELO; Rodrigo Do Monte GESTER; Antônino MAIA et al

DOI ISSN 1093-3263

2020 Artigo em periódico

PS Materials Science (miscellaneous)

Encapsulation Ability of Silicon Carbide and Boron Nitride Nanotubes for Spilanthol Molecule

Journal of Nanostructure in Chemistry

Tarcisio Andrade FILHO; Antônino MAIA; Rodrigo Do Monte GESTER; Mayra PINHEIRO; Andrey MARINHO et al

DOI ISSN 2193-8865

2020 Artigo em periódico

PS Physical and Theoretical Chemistry

A theoretical study of the magnetic shielding of 15N of formamide in liquid water

JOURNAL OF MOLECULAR LIQUIDS

Rodrigo Do Monte GESTER; Marcos Vinícius Araújo DAMASCENO; Sylvio CANUTO; Manzoni VINÍCIUS

DOI ISSN 0167-7322

2020 Artigo em periódico

PS Organic Chemistry

Solvent polarity effects on thermochemical and NMR parameters of spilanthol pharmacological agent: an experimental and DFT investigation

STRUCTURAL CHEMISTRY

Pinheiro MAYRA; Da Cunha Antonio R; Marinho Andrey M R; Silva Simone Y S; Andrade Filho TARCISO et al

DOI ISSN 1040-0400

2019 Artigo em periódico

SH Accounting

Structural behavior of phenylalanine-tryptophan peptide nanotubes at anhydrous conditions: a theoretical investigation

THEORETICAL CHEMISTRY ACCOUNTS

Freitas H A S; Saraiva A L J; Silva T A; Coutinho Filho C C; Fagury R L R P et al

DOI ISSN 1432-881X

2019 Artigo em periódico

PS Physical and Theoretical Chemistry

Giant values obtained for first hyperpolarizabilities of methyl orange: a DFT investigation

THEORETICAL CHEMISTRY ACCOUNTS

Pimenta Ângela C M; Tarcisio Andrade FILHO; Vinícius Manzoni VIEIRA; Del Nero JORDAN; Rodrigo GESTER

DOI ISSN 1432-881X

2019 Artigo em periódico

PS Physical and Theoretical Chemistry

Strong enhancement of NLO response of methyl orange dyes through solvent effects: A sequential Monte Carlo/DFT investigation

OPTICAL MATERIALS

Vinícius Manzoni VIEIRA; Modesto Costa LUCAS; Del Nero JORDAN; Andrade Filho TARCISO; Rodrigo GESTER

DOI ISSN 0925-3467