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Resultados de 1 a 10 de 59  para Produção Intelectual da USP

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1
A first-principles approach to the dynamics and electronic properties of p-nitroaniline in water
A first-principles approach to the dynamics and electronic properties of p-nitroaniline in water
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A first-principles approach to the dynamics and electronic properties of p-nitroaniline in water

Benedito J. Costa Cabral Kalline Rabelo Coutinho; Sylvio Roberto Accioly Canuto

Journal of Physical Chemistry A Washington DC v. 120, n. 22, p. 3878-3887, jun.2016

Washington DC 2016

Item não circula. Consulte sua biblioteca.(Acessar)

2
A first principles approach to the electronic properties of liquid and supercritical 'CO IND. 2'
A first principles approach to the electronic properties of liquid and supercritical 'CO IND. 2'
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A first principles approach to the electronic properties of liquid and supercritical 'CO IND. 2'

Benedito J. Costa Cabral Roberto Rivelino; Kaline Rabelo Coutinho; Sylvio Roberto Accioly Canuto

JOURNAL OF CHEMICAL PHYSICS Meville v. 142, n. 2, p. 024504, jan. 2015

Melville 2015

Acesso online

3
A Monte-Carlo quantum mechanical study of the solvachromism of pyrimidine in water and in carbon tetrachloride
A Monte-Carlo quantum mechanical study of the solvachromism of pyrimidine in water and in carbon tetrachloride
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A Monte-Carlo quantum mechanical study of the solvachromism of pyrimidine in water and in carbon tetrachloride

Katia J de Almeida Kaline Rabelo Coutinho; Wagner B de Almeida; William R Rocha; Sylvio Canuto

Physical Chemistry Chemical Physics London v. 3, n. 9, p. 1583-1587, 2001

London 2001

Item não circula. Consulte sua biblioteca.(Acessar)

4
A Monte-Carlo quantum mechanical study of the solvachromism of pyrimidine in water and in carbon tetrachloride
A Monte-Carlo quantum mechanical study of the solvachromism of pyrimidine in water and in carbon tetrachloride
Material Type:
Artigo 		Adicionar ao Meu Espaço

A Monte-Carlo quantum mechanical study of the solvachromism of pyrimidine in water and in carbon tetrachloride

Katia J de Almeida Kaline Rabelo Coutinho; Wagner B de Almeida; William R Rocha; Sylvio Canuto

Physical Chemistry Chemical Physics London v. 3, n. 9, p. 1583-1587, 2001

London 2001

Item não circula. Consulte sua biblioteca.(Acessar)

5
Aplicação do método Monte Carlo em simulação computacional de interação molecular harmana e água
Aplicação do método Monte Carlo em simulação computacional de interação molecular harmana e água
Material Type:
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Aplicação do método Monte Carlo em simulação computacional de interação molecular harmana e água

Rudson C Ferreira Tarciso Silva Andrade Filho; Jordan Del Nero; Kaline Rabelo Coutinho; Sidicleia B C Silva; Andre Galembeck; Sylvio Canuto; Rodrigo Gester; Tomires L Athayde Filho; Hardiney Martins; Encontro Nacional de Física da Matéria Condensada (29. 2006 São Lourenço)

São Paulo : Sociedade Brasileira de Física, 2006

São Paulo 2006

Acesso online

6
Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-'c IND. 2' in liquid methanol
Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-'c IND. 2' in liquid methanol
Material Type:
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Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-'c IND. 2' in liquid methanol

Benedito J. C. Cabral Kaline Rabelo Coutinho; Sylvio Roberto Accioly Canuto

JOURNAL OF CHEMICAL PHYSICS v. 138, n.22, p. 225102, jul.2013

Melville 2013

Item não circula. Consulte sua biblioteca.(Acessar)

7
Can larger dipoles solvate less? solute-solvent hydrogen bond and the differential solvation of phenol and phenoxy
Can larger dipoles solvate less? solute-solvent hydrogen bond and the differential solvation of phenol and phenoxy
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Can larger dipoles solvate less? solute-solvent hydrogen bond and the differential solvation of phenol and phenoxy

Kaline Rabelo Coutinho B J C Cabral; Sylvio Canuto

Chemical Physics Letters v. 399, n. 4-6, p. 534-538, 2004

Amsterdam 2004

Acesso online

8
Can larger dipoles solvate less? solute-solvent hydrogen bond and the differential solvation of phenol and phenoxy
Can larger dipoles solvate less? solute-solvent hydrogen bond and the differential solvation of phenol and phenoxy
Material Type:
Artigo 		Adicionar ao Meu Espaço

Can larger dipoles solvate less? solute-solvent hydrogen bond and the differential solvation of phenol and phenoxy

Kaline Rabelo Coutinho B J C Cabral; Sylvio Canuto

Chemical Physics Letters v. 399, n. 4-6, p. 534-538, 2004

Amsterdam 2004

Acesso online

9
Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion
Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion
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Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion

Sylvio Canuto Kaline Rabelo Coutinho; Benedito J Costa Cabral; V. G Zakrzewski; J. V Ortiz

The Journal of Chemical Physics V.132, N.21, 2010

New York 2010

Acesso online

10
Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion
Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion
Material Type:
Artigo 		Adicionar ao Meu Espaço

Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion

Sylvio Canuto Kaline Rabelo Coutinho; Benedito J Costa Cabral; V. G Zakrzewski; J. V Ortiz

The Journal of Chemical Physics V.132, N.21, 2010

New York 2010

Acesso online

Resultados de 1 a 10 de 59  para Produção Intelectual da USP

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