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Refinado por: Nome da Publicação: International Journal of Quantum Chemistry remover nível superior: Recursos Online remover
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1
A QM/MM hybrid simulation of 5-hydroxytryptophan in solution
A QM/MM hybrid simulation of 5-hydroxytryptophan in solution
Material Type:
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A QM/MM hybrid simulation of 5-hydroxytryptophan in solution

M S Amaral M Loos; Amando S Ito (Amando Siuiti)

International Journal of Quantum Chemistry v. 95, n. 3, p. 289-294, 2003

New Jersey 2003

Acesso online

2
A QM/MM hybrid simulation of 5-hydroxytryptophan in solution
A QM/MM hybrid simulation of 5-hydroxytryptophan in solution
Material Type:
Artigo 		Adicionar ao Meu Espaço

A QM/MM hybrid simulation of 5-hydroxytryptophan in solution

M S Amaral M Loos; Amando S Ito (Amando Siuiti)

International Journal of Quantum Chemistry v. 95, n. 3, p. 289-294, 2003

New Jersey 2003

Acesso online

3
Ab initio NMR study of the isomerichydrogen-bonded methanol water complexes
Ab initio NMR study of the isomerichydrogen-bonded methanol water complexes
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Ab initio NMR study of the isomerichydrogen-bonded methanol water complexes

Eudes Eterno Fileti Sylvio Canuto

International Journal of Quantum Chemistry v. 102, n. 5, p. 554-564, 2005

New York 2005

Acesso online

4
Ab initio NMR study of the isomerichydrogen-bonded methanol water complexes
Ab initio NMR study of the isomerichydrogen-bonded methanol water complexes
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Artigo 		Adicionar ao Meu Espaço

Ab initio NMR study of the isomerichydrogen-bonded methanol water complexes

Eudes Eterno Fileti Sylvio Canuto

International Journal of Quantum Chemistry v. 102, n. 5, p. 554-564, 2005

New York 2005

Acesso online

5
Adapted relativistic prolapse-free gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model
Adapted relativistic prolapse-free gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model
Material Type:
Artigo 		Adicionar ao Meu Espaço

Adapted relativistic prolapse-free gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model

Luiz Guilherme Machado de Macedo Roberto Luiz Andrade Haiduke; Moacyr Comar Junior; Alberico Borges Ferreira da Silva

International Journal of Quantum Chemistry Hoboken v. 106, n. 13, p. 2790-2803, 2006

Hoboken 2006

Acesso online. A biblioteca também possui exemplares impressos.

6
Adapted relativistic prolapse-free gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model
Adapted relativistic prolapse-free gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model
Material Type:
Artigo 		Adicionar ao Meu Espaço

Adapted relativistic prolapse-free gaussian basis sets for closed shell atoms up to nobelium and to be used with the uniform sphere nucleus model

Luiz Guilherme Machado de Macedo Roberto Luiz Andrade Haiduke; Moacyr Comar Junior; Alberico Borges Ferreira da Silva

International Journal of Quantum Chemistry Hoboken v. 106, n. 13, p. 2790-2803, 2006

Hoboken 2006

Acesso online. A biblioteca também possui exemplares impressos.

7
An atomic charge study of highly ionic diatomic molecular systems
An atomic charge study of highly ionic diatomic molecular systems
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An atomic charge study of highly ionic diatomic molecular systems

Daniel T I Nakazato Eduardo Lemos de Sá; Roberto Luiz Andrade Haiduke

International Journal of Quantum Chemistry Washington v. 110, n. 15, p. 1729-1737, 2010

New York 2010

Acesso online. A biblioteca também possui exemplares impressos.

8
An atomic charge study of highly ionic diatomic molecular systems
An atomic charge study of highly ionic diatomic molecular systems
Material Type:
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An atomic charge study of highly ionic diatomic molecular systems

Daniel T I Nakazato Eduardo Lemos de Sá; Roberto Luiz Andrade Haiduke

International Journal of Quantum Chemistry Washington v. 110, n. 15, p. 1729-1737, 2010

New York 2010

Acesso online. A biblioteca também possui exemplares impressos.

9
Applications of density functional theory methods in millimeter-wave spectroscopy
Applications of density functional theory methods in millimeter-wave spectroscopy
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Applications of density functional theory methods in millimeter-wave spectroscopy

Eduardo Rissi Roberto Rivelino; Sylvio Canuto

International Journal of Quantum Chemistry New York v. 91, n. 4, p. 575-585, 2003

New York 2003

Acesso online

10
Applications of density functional theory methods in millimeter-wave spectroscopy
Applications of density functional theory methods in millimeter-wave spectroscopy
Material Type:
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Applications of density functional theory methods in millimeter-wave spectroscopy

Eduardo Rissi Roberto Rivelino; Sylvio Canuto

International Journal of Quantum Chemistry New York v. 91, n. 4, p. 575-585, 2003

New York 2003

Acesso online

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Deste Autor:

  1. Silva, A
  2. Canuto, S
  3. Macedo, L
  4. Haiduke, R
  5. Barbosa, R

Neste Assunto:

  1. Química Quântica
  2. Físico-Química
  3. Química Teórica
  4. Estrutura Eletrônica
  5. Espectroscopia Molecular

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

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