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1
Highly accurate relativistic universal Gaussian basis set for Dirac-Fock-Breit calculations
Highly accurate relativistic universal Gaussian basis set for Dirac-Fock-Breit calculations
Material Type:
Artigo 		Adicionar ao Meu Espaço

Highly accurate relativistic universal Gaussian basis set for Dirac-Fock-Breit calculations

Luiz Guilherme Machado de Macedo R C Barbosa; Alberico Borges Ferreira da Silva

International Journal of Quantum Chemistry Hoboken v. 102, n. 1, p. 1-7, 2005

Lausanne 2005

Acesso online. A biblioteca também possui exemplares impressos.

2
Highly accurate relativistic universal Gaussian basis set for Dirac-Fock-Breit calculations
Highly accurate relativistic universal Gaussian basis set for Dirac-Fock-Breit calculations
Material Type:
Artigo 		Adicionar ao Meu Espaço

Highly accurate relativistic universal Gaussian basis set for Dirac-Fock-Breit calculations

Luiz Guilherme Machado de Macedo R C Barbosa; Alberico Borges Ferreira da Silva

International Journal of Quantum Chemistry Hoboken v. 102, n. 1, p. 1-7, 2005

Lausanne 2005

Acesso online. A biblioteca também possui exemplares impressos.

3
New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method
New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method
Material Type:
Artigo 		Adicionar ao Meu Espaço

New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method

Luiz Guilherme Machado de Macedo N H Morgon; Roberto Luiz Andrade Haiduke; R. C Barbosa; Alberico Borges Ferreira da Silva

International Journal of Quantum Chemistry Hoboken v. 103, n. 5, p. 523-528, 2005

Hoboken 2005

Acesso online. A biblioteca também possui exemplares impressos.

4
Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems
Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems
Material Type:
Artigo 		Adicionar ao Meu Espaço

Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems

Roberto Luiz Andrade Haiduke Luiz Guilherme Machado de Macedo; R. C Barbosa; N H Morgon; Alberico Borges Ferreira da Silva

International Journal of Quantum Chemistry Hoboken v. 103, n. 5, p. 529-536, 2005

Hoboken 2005

Acesso online. A biblioteca também possui exemplares impressos.

5
New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method
New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method
Material Type:
Artigo 		Adicionar ao Meu Espaço

New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method

Luiz Guilherme Machado de Macedo N H Morgon; Roberto Luiz Andrade Haiduke; R. C Barbosa; Alberico Borges Ferreira da Silva

International Journal of Quantum Chemistry Hoboken v. 103, n. 5, p. 523-528, 2005

Hoboken 2005

Acesso online. A biblioteca também possui exemplares impressos.

6
Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems
Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems
Material Type:
Artigo 		Adicionar ao Meu Espaço

Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems

Roberto Luiz Andrade Haiduke Luiz Guilherme Machado de Macedo; R. C Barbosa; N H Morgon; Alberico Borges Ferreira da Silva

International Journal of Quantum Chemistry Hoboken v. 103, n. 5, p. 529-536, 2005

Hoboken 2005

Acesso online. A biblioteca também possui exemplares impressos.

7
Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity
Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity
Material Type:
Artigo 		Adicionar ao Meu Espaço

Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity

Rafael Y. O. Moreira Davi S. B Brasil; Claúdio N Alves; Gisele M. S. P Guilhon; Lourivaldo S Santos; Mara S. P Arruda; Adolfo H Müller; Patrícia S Barbosa; Alcicley S Abreu; Edilene O Silva; Vicotr M Rumjanek; Jaime Souza Junior; Alberico Borges Ferreira da Silva; Regina Helena de Almeida Santos

International Journal of Quantum Chemistry Hoboken v. 108, n. 3, p. 513-520, 2008

Hoboken 2008

Acesso online. A biblioteca também possui exemplares impressos.

8
Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity
Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity
Material Type:
Artigo 		Adicionar ao Meu Espaço

Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity

Rafael Y. O. Moreira Davi S. B Brasil; Claúdio N Alves; Gisele M. S. P Guilhon; Lourivaldo S Santos; Mara S. P Arruda; Adolfo H Müller; Patrícia S Barbosa; Alcicley S Abreu; Edilene O Silva; Vicotr M Rumjanek; Jaime Souza Junior; Alberico Borges Ferreira da Silva; Regina Helena de Almeida Santos

International Journal of Quantum Chemistry Hoboken v. 108, n. 3, p. 513-520, 2008

Hoboken 2008

Acesso online. A biblioteca também possui exemplares impressos.

9
Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems
Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems
Material Type:
Artigo 		Adicionar ao Meu Espaço

Relativistic Gaussian basis sets obtained with a polynomial version of the generator coordinate Dirac-Fock method: Ionization energies of some closed-shell atomic systems

Haiduke, R. L. A. ; de Macedo, L. G. M. ; Barbosa, R. C. ; Morgon, N. H. ; da Silva, A. B. F.

International journal of quantum chemistry, 2005, Vol.103 (5), p.529-536 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

Texto completo disponível

Citações Citado por
10
New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method
New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method
Material Type:
Artigo 		Adicionar ao Meu Espaço

New adapted Gaussian basis sets for the relativistic closed shell atoms from helium to barium generated with the generator coordinate Dirac-Fock method

De Macedo, L. G. M. ; Morgon, N. H. ; Haiduke, R. L. A. ; Barbosa, R. C. ; Da Silva, A. B. F.

International journal of quantum chemistry, 2005, Vol.103 (5), p.523-528 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

Texto completo disponível

Citações Citado por

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