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Resultados de 1 a 10 de 13  para Produção Intelectual da USP

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1
Theoretical study of molecules and its interaction with embedding environment
Theoretical study of molecules and its interaction with embedding environment
Material Type:
Artigo de Congresso 		Adicionar ao Meu Espaço

Theoretical study of molecules and its interaction with embedding environment

Kaline Coutinho XXXV Encontro Nacional de Física da Matéria Condensada 2012 Águas de Lindóia

Resumo Águas de Lindóia: SBF, 2012

Águas de Lindóia SBF 2012

Acesso online

2
Theoretical study of the electronic spectra of para-nitroaniline in supercritical water
Theoretical study of the electronic spectra of para-nitroaniline in supercritical water
Material Type:
Artigo de Congresso 		Adicionar ao Meu Espaço

Theoretical study of the electronic spectra of para-nitroaniline in supercritical water

Marcelo Hidalgo Kaline Coutinho; Sylvio Canuto; XXXV Encontro Nacional de Física da Matéria Condensada 2012 Águas de Lindóia

Resumo Águas de Lindóia: SBF, 2012

Águas de Lindóia SBF 2012

Acesso online

3
Estudos teóricos de efeito de solvente em moléculas de interesse biológicos
Estudos teóricos de efeito de solvente em moléculas de interesse biológicos
Material Type:
Artigo de Congresso 		Adicionar ao Meu Espaço

Estudos teóricos de efeito de solvente em moléculas de interesse biológicos

Kaline Rabelo Coutinho Curso de Verão - 2011 ( 2011 São Paulo)

Resumo São Paulo: IFUSP, 2011

São Paulo IFUSP 2011

Item não circula. Consulte sua biblioteca.(Acessar)

4
Structure and electronic properties of hydrated mesityl oxide a sequential quantum mechanics/molecular mechanics approach
Structure and electronic properties of hydrated mesityl oxide a sequential quantum mechanics/molecular mechanics approach
Material Type:
Artigo 		Adicionar ao Meu Espaço

Structure and electronic properties of hydrated mesityl oxide a sequential quantum mechanics/molecular mechanics approach

Marcus V. A. Damasceno Kaline Coutinho; Benedito J. Costa Cabral

THEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA) Berlin v.131, n.5, p. 1214, abr.2012

Berlin 2012

Acesso online

5
New approach to instantaneous polarizable electrostatic embedding of the solvent
New approach to instantaneous polarizable electrostatic embedding of the solvent
Material Type:
Artigo 		Adicionar ao Meu Espaço

New approach to instantaneous polarizable electrostatic embedding of the solvent

M. B. Kiataki Marcio Varella; Kaline Coutinho

Journal of Molecular Liquids Amsterdam: Elsevier, 2023 v. 389, 9 p., número do artigo: 122861, on-line

Amsterdam 2023

Item não circula. Consulte sua biblioteca.(Acessar)

6
Structure and electronic properties of hydrated mesityl oxide a sequential quantum mechanics/molecular mechanics approach
Structure and electronic properties of hydrated mesityl oxide a sequential quantum mechanics/molecular mechanics approach
Material Type:
Artigo 		Adicionar ao Meu Espaço

Structure and electronic properties of hydrated mesityl oxide a sequential quantum mechanics/molecular mechanics approach

Marcus V. A. Damasceno Kaline Coutinho; Benedito J. Costa Cabral

THEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA) Berlin v.131, n.5, p. 1214, abr.2012

Berlin 2012

Acesso online

7
Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities
Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities
Material Type:
Artigo 		Adicionar ao Meu Espaço

Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities

Leandro Franco Tertius Fonseca; Kaline Coutinho; Herbert C Georg

The Journal of Chemical Physics Maryland: American Institute of Physics, 2023 v. 159, n. 7, número do artigo: 074303, 21 de Agosto de 2023

Maryland 2023

Item não circula. Consulte sua biblioteca.(Acessar)

8
Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution
Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution
Material Type:
Artigo 		Adicionar ao Meu Espaço

Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution

Leandro Franco Kalil Cristhian Figueiredo Toledo; Tiago Araujo Matias; Moyses Araujo; Koiti Araki; Kaline Coutinho

Physical Chemistry Chemical Physics Londres: Royal Society of Chemistry , 2023 v. 25, p. 24475–24494, 12 de Agosto de 2023, on-line, acesso aberto

Londres 2023

Item não circula. Consulte sua biblioteca.(Acessar)

9
A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution
A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution
Material Type:
Artigo 		Adicionar ao Meu Espaço

A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution

Marcelo Hidalgo Cardenuto Henrique Cezar; Kurt V Mikkelsen; Stephan P.A Sauer; Kaline Coutinho; Sylvio Canuto

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Amterdam v. 251, número do artigo: 119434, 06 de janeiro de 2021, online

Amsterdam 2021

Item não circula. Consulte sua biblioteca.(Acessar)

10
Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand
Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand
Material Type:
Artigo 		Adicionar ao Meu Espaço

Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand

Leandro Rezende Franco Kalil Cristhian Figueiredo Toledo; Tiago Araujo Matias; Paola Andrea Benavides; Henrique Cezar; Moyses Araujo; Kaline Rabelo Coutinho; Koiti Araki

Physical Chemistry Chemical Physics Londres: Royal Society of Chemistry, 2022 v. 24, n. 17, p. 10222-10240, 30 de março de 2022

Londres 2022

Item não circula. Consulte sua biblioteca.(Acessar)

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