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Refinado por: autor: Georg, H remover assunto: Método De Monte Carlo remover
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1
Methyl Orange in aqueous environment a sequential Monte Carlo/ quantum mechanics investigation
Methyl Orange in aqueous environment a sequential Monte Carlo/ quantum mechanics investigation
Material Type:
Artigo de Congresso 		Adicionar ao Meu Espaço

Methyl Orange in aqueous environment a sequential Monte Carlo/ quantum mechanics investigation

Jordan Del Neto Rodrigo Gester; Rudson C Ferreira; Herbert C Georg; Kaline Rabelo Coutinho; Sylvio Canuto; Simpósio Brasileiro de Química Teórica (13. 2005 São Pedro)

Resumos São Pedro : SBQT, 2005

São Pedro SBQT 2005

Acesso online

2
Monte carlo–quantum mechanics study of magnetic properties of hydrogen peroxide in liquid water
Monte carlo–quantum mechanics study of magnetic properties of hydrogen peroxide in liquid water
Material Type:
Artigo 		Adicionar ao Meu Espaço

Monte carlo–quantum mechanics study of magnetic properties of hydrogen peroxide in liquid water

Maria Cristina Caputo Patricio F Provasi; Lucia Benitez; Herbert C Georg; Kaline Rabelo Coutinho; Sylvio Roberto Accioly Canuto

JOURNAL OF PHYSICAL CHEMISTRY A Washington v. 118, n. 32, p. 6239-6247, ago.2014

Washington 2014

Acesso online

3
A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water
A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water
Material Type:
Artigo 		Adicionar ao Meu Espaço

A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water

Herbert de Castro Georg Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Chemical Physics v. 123, n. 12, p. 124307/1-124307/8, 2005

New York 2005

Acesso online

4
Solvent effects on the UV-visible absorption spectrum of benzophenone in water a combined Monte Carlo quantum mechanics study including solute polarization
Solvent effects on the UV-visible absorption spectrum of benzophenone in water a combined Monte Carlo quantum mechanics study including solute polarization
Material Type:
Artigo 		Adicionar ao Meu Espaço

Solvent effects on the UV-visible absorption spectrum of benzophenone in water a combined Monte Carlo quantum mechanics study including solute polarization

H C Georg Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Chemical Physics v. 126, n. 3, p. 034507/1-034507/8, 2007

Menasha 2007

Acesso online

5
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:
Artigo 		Adicionar ao Meu Espaço

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

6
A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water
A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water
Material Type:
Artigo 		Adicionar ao Meu Espaço

A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water

Herbert de Castro Georg Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Chemical Physics v. 123, n. 12, p. 124307/1-124307/8, 2005

New York 2005

Acesso online

7
Solvent effects on the UV-visible absorption spectrum of benzophenone in water a combined Monte Carlo quantum mechanics study including solute polarization
Solvent effects on the UV-visible absorption spectrum of benzophenone in water a combined Monte Carlo quantum mechanics study including solute polarization
Material Type:
Artigo 		Adicionar ao Meu Espaço

Solvent effects on the UV-visible absorption spectrum of benzophenone in water a combined Monte Carlo quantum mechanics study including solute polarization

H C Georg Kaline Rabelo Coutinho; Sylvio Canuto

Journal of Chemical Physics v. 126, n. 3, p. 034507/1-034507/8, 2007

Menasha 2007

Acesso online

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Assunto 

  1. Métodos Mcmc  (5)
  2. Físico-Química  (3)
  3. Matéria Condensada  (2)
  4. Spin  (1)
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Deste Autor:

  1. Coutinho, K
  2. Georg, H
  3. Canuto, S
  4. Barreto, R
  5. Benitez, L

Neste Assunto:

  1. Métodos Mcmc
  2. Físico-Química
  3. Matéria Condensada
  4. Spin
  5. Química Teórica

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