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Resultados de 1 a 10 de 67  para Produção Intelectual da USP

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Refinado por: autor: Coutinho, K remover
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1
Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approach
Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approach
Material Type:
Artigo 		Adicionar ao Meu Espaço

Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approach

Tania S Almeida Kaline Rabelo Coutinho; Benedito J Costa Cabral; Sylvio Canuto

Journal of Chemical Physics v. 128, n. 1, p. 014506/1-014506/9, 2008

New York 2008

Acesso online

2
Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approach
Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approach
Material Type:
Artigo 		Adicionar ao Meu Espaço

Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approach

Tania S Almeida Kaline Rabelo Coutinho; Benedito J Costa Cabral; Sylvio Canuto

Journal of Chemical Physics v. 128, n. 1, p. 014506/1-014506/9, 2008

New York 2008

Acesso online

3
A sequential Monte Carlo quantum mechanics calculations of trans-resveratrol in aqueous solution
A sequential Monte Carlo quantum mechanics calculations of trans-resveratrol in aqueous solution
Material Type:
Artigo de Congresso 		Adicionar ao Meu Espaço

A sequential Monte Carlo quantum mechanics calculations of trans-resveratrol in aqueous solution

Tarciso Silva Andrade Filho Hardiney Martins; R M Gester; Rudson C Ferreira; Sheila Cristina Santos Costa; Jordan Del Nero; Kaline Rabelo Coutinho; Sylvio Canuto; Encontro Nacional de Física da Matéria Condensada (29. 2006 São Lourenço)

São Paulo : Sociedade Brasileira de Física, 2006

São Paulo 2006

Acesso online

4
Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest `pi´-`pi´* transition
Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest `pi´-`pi´* transition
Material Type:
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Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest `pi´-`pi´* transition

Rafael Carvalho Barreto Kaline Rabelo Coutinho; Herbert de Castro Georg; Sylvio Canuto

Physical Chemistry Chemical Physics v. 11, n. 9, p, 1388-1396, 2009

Cambridge 2009

Acesso online

5
Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium
Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium
Material Type:
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Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium

Mateus Bergami Andre L. D Santana; Jorge Charry; Andres Reyes; Kaline Rabelo Coutinho; Márcio Teixeira do Nascimento Varella

Journal of Physical Chemistry B Washington: ACS-American Chemical Society, 2022 v. 126, n. 14, p. 2699-2714, 4 de abril de 2022, online

Washington 2022

Item não circula. Consulte sua biblioteca.(Acessar)

6
Quantum mechanics meets scaling theory near the critical point
Quantum mechanics meets scaling theory near the critical point
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Quantum mechanics meets scaling theory near the critical point

Carlos Bistafa Tárcius N Ramos; Kaline Rabelo Coutinho; Sylvio Canuto

Theoretical Chemistry Accounts Berlin v. 139, Article number: 80, 2020

Berlin 2020

Acesso online

7
Solvents as explicit liquids using a sequential Monte Carlo-Quantum Mechanics methodology
Solvents as explicit liquids using a sequential Monte Carlo-Quantum Mechanics methodology
Material Type:
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Solvents as explicit liquids using a sequential Monte Carlo-Quantum Mechanics methodology

Sylvio Canuto Kaline Rabelo Coutinho; Sanibel Symposium (43. 2003 St. Augustine)

Program, Abstracts, List of Participants Gainesville, Fl : University of Florida, 2003

Gainesville, Fl University of Florida 2003

Item não circula. Consulte sua biblioteca.(Acessar)

8
The dipole polarization of F-in aqueous solution. a sequential Monte Carlo/quantum mechanics study
The dipole polarization of F-in aqueous solution. a sequential Monte Carlo/quantum mechanics study
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The dipole polarization of F-in aqueous solution. a sequential Monte Carlo/quantum mechanics study

Sylvio Canuto Kaline Rabelo Coutinho; P K Mukherjee

Advances in Quantum Chemistry v. 48, p. 141-150, 2005

San Diego 2005

Item não circula. Consulte sua biblioteca.(Acessar)

9
The dipole polarization of F-in aqueous solution. a sequential Monte Carlo/quantum mechanics study
The dipole polarization of F-in aqueous solution. a sequential Monte Carlo/quantum mechanics study
Material Type:
Artigo 		Adicionar ao Meu Espaço

The dipole polarization of F-in aqueous solution. a sequential Monte Carlo/quantum mechanics study

Sylvio Canuto Kaline Rabelo Coutinho; P K Mukherjee

Advances in Quantum Chemistry v. 48, p. 141-150, 2005

San Diego 2005

Item não circula. Consulte sua biblioteca.(Acessar)

10
New developments in Monte Carlo quantum mechanics methodology: the solvatochromism of beta-carotene in different solvents
New developments in Monte Carlo quantum mechanics methodology: the solvatochromism of beta-carotene in different solvents
Material Type:
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New developments in Monte Carlo quantum mechanics methodology: the solvatochromism of beta-carotene in different solvents

Sylvio Canuto Kaline Rabelo Coutinho; D Trzesniak

Advances in Quantum Chemistry San Diego v. 41, p. 161-182, 2002

San Diego 2002

Item não circula. Consulte sua biblioteca.(Acessar)

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Deste Autor:

  1. Coutinho, K
  2. Canuto, S
  3. Georg, H
  4. Cabral, B
  5. Fonseca, T

Neste Assunto:

  1. Método De Monte Carlo
  2. Mecânica Quântica
  3. Físico-Química
  4. Métodos Mcmc
  5. Matéria Condensada

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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