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1
A geometric model for cold water and liquid-liquid transitions
A geometric model for cold water and liquid-liquid transitions
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A geometric model for cold water and liquid-liquid transitions

Nara Cristina Guisoni Vera Bohomoletz Henriques

Journal of Chemical Physics Woodbury v. 115, n. 11, p. 5238-5243, 2001

Woodbury 2001

Acesso online

2
A geometric model for cold water and liquid-liquid transitions
A geometric model for cold water and liquid-liquid transitions
Material Type:
Artigo 		Adicionar ao Meu Espaço

A geometric model for cold water and liquid-liquid transitions

Nara Cristina Guisoni Vera Bohomoletz Henriques

Journal of Chemical Physics Woodbury v. 115, n. 11, p. 5238-5243, 2001

Woodbury 2001

Acesso online

3
A high level theoretical investigation of the 'N IND. 2''O IND. 4' "seta" 2 N'O IND. 2' dissociation reaction is there a transition state?
A high level theoretical investigation of the 'N IND. 2''O IND. 4' "seta" 2 N'O IND. 2' dissociation reaction is there a transition state?
Material Type:
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A high level theoretical investigation of the 'N IND. 2''O IND. 4' "seta" 2 N'O IND. 2' dissociation reaction is there a transition state?

Fernando Rei Ornellas Stella Maris Resende; Francisco Bolivar Correto Machado; Orlando Roberto Neto

Journal of Chemical Physics Melville v. 118, n. 9, p. 4060-4065, 2003

Melville 2003

Item não circula. Consulte sua biblioteca.(Acessar)

4
A high level theoretical investigation of the 'N IND. 2''O IND. 4' "seta" 2 N'O IND. 2' dissociation reaction is there a transition state?
A high level theoretical investigation of the 'N IND. 2''O IND. 4' "seta" 2 N'O IND. 2' dissociation reaction is there a transition state?
Material Type:
Artigo 		Adicionar ao Meu Espaço

A high level theoretical investigation of the 'N IND. 2''O IND. 4' "seta" 2 N'O IND. 2' dissociation reaction is there a transition state?

Fernando Rei Ornellas Stella Maris Resende; Francisco Bolivar Correto Machado; Orlando Roberto Neto

Journal of Chemical Physics Melville v. 118, n. 9, p. 4060-4065, 2003

Melville 2003

Item não circula. Consulte sua biblioteca.(Acessar)

5
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)

6
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)

7
A segmented contraction methodology for Gaussian basis sets to be used in Dirac-Fock atomic and molecular calculations
A segmented contraction methodology for Gaussian basis sets to be used in Dirac-Fock atomic and molecular calculations
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A segmented contraction methodology for Gaussian basis sets to be used in Dirac-Fock atomic and molecular calculations

F E Jorge Alberico Borges Ferreira da Silva

Chemical Physics Letters Amsterdam v.289, p.469-472, 1998

Amsterdam 1998

Localização: IQSC - Inst. Química de São Carlos    (P4669 )(Acessar)

8
A simple method for the fast calculation of charge redistribution of solutes in an implicit solvent model
A simple method for the fast calculation of charge redistribution of solutes in an implicit solvent model
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A simple method for the fast calculation of charge redistribution of solutes in an implicit solvent model

L. G. Dias K Shimizu; João Pedro Simon Farah; Hernan Chaimovich Guralnik

Chemical Physics Amsterdam v. 282, n. 2, p. 237-243, 2002

Amsterdam 2002

Item não circula. Consulte sua biblioteca.(Acessar)

9
A simple method for the fast calculation of charge redistribution of solutes in an implicit solvent model
A simple method for the fast calculation of charge redistribution of solutes in an implicit solvent model
Material Type:
Artigo 		Adicionar ao Meu Espaço

A simple method for the fast calculation of charge redistribution of solutes in an implicit solvent model

L. G. Dias K Shimizu; João Pedro Simon Farah; Hernan Chaimovich Guralnik

Chemical Physics Amsterdam v. 282, n. 2, p. 237-243, 2002

Amsterdam 2002

Item não circula. Consulte sua biblioteca.(Acessar)

10
A theoretical characterization of the quartet states of the 'S' 'O IND+' molecular ion
A theoretical characterization of the quartet states of the 'S' 'O IND+' molecular ion
Material Type:
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A theoretical characterization of the quartet states of the 'S' 'O IND+' molecular ion

Fernando Rei Ornellas Antonio Carlos Borin

Journal of Chemical Physics Woodbury v. 109, n. 6, p. 2202-9, 1998

Woodbury 1998

Item não circula. Consulte sua biblioteca.(Acessar)

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  1. Ornellas, F  (82)
  2. Rice, S  (57)
  3. Canuto, S  (51)
  4. Prigogine, I  (48)
  5. Borin, A  (44)
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Deste Autor:

  1. Ornellas, F
  2. Rice, S
  3. Canuto, S
  4. Prigogine, I
  5. Borin, A

Neste Assunto:

  1. Chemistry, Physical And Theoretical
  2. Método De Monte Carlo
  3. Physics
  4. Chemistry
  5. Físico-Química

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

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