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Refinado por: Nome da Publicação: International Journal Of Quantum Chemistry remover idioma: Inglês remover
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1
Generator coordinate hartree-fock method applied to the choice of a contracted gaussian basis for the second-row atoms
Generator coordinate hartree-fock method applied to the choice of a contracted gaussian basis for the second-row atoms
Material Type:
Artigo 		Adicionar ao Meu Espaço

Generator coordinate hartree-fock method applied to the choice of a contracted gaussian basis for the second-row atoms

J. C. Pinheiro Alberico Borges Ferreira da Silva; M Trsic

New York v.63, n.5 , p.927-34, 1997 International Journal of Quantum Chemistry

New York 1997

Localização: IQSC - Inst. Química de São Carlos    (P3781 )(Acessar)

2
Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set 'XE''F IND.2'
Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set 'XE''F IND.2'
Material Type:
Artigo 		Adicionar ao Meu Espaço

Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set 'XE''F IND.2'

G L Malli J Styszynski; Alberico Borges Ferreira da Silva

New York v.55, n.3 , p.213-25, aug. 1995 International Journal of Quantum Chemistry

New York 1995

Localização: IQSC - Inst. Química de São Carlos    (P2742 )(Acessar)

3
An AM1 study on the electron-donating and electron-accepting character of biomolecules
An AM1 study on the electron-donating and electron-accepting character of biomolecules
Material Type:
Artigo 		Adicionar ao Meu Espaço

An AM1 study on the electron-donating and electron-accepting character of biomolecules

Káthia Maria Honório Alberico Borges Ferreira da Silva

International Journal of Quantum Chemistry Hoboken v. 95, n. 2, p. 126-132, 2003

Hoboken 2003

Localização: IQSC - Inst. Química de São Carlos    (P7118 )(Acessar)

4
Energy lowering of current-carrying single-particle states in open-shell atoms due to an exchange-correlation vector potential
Energy lowering of current-carrying single-particle states in open-shell atoms due to an exchange-correlation vector potential
Material Type:
Artigo 		Adicionar ao Meu Espaço

Energy lowering of current-carrying single-particle states in open-shell atoms due to an exchange-correlation vector potential

E Orestes Alberico Borges Ferreira da Silva; Klaus Capelle

International Journal of Quantum Chemistry Hoboken v. 103, n. 5, p. 516-522, 2005

Hoboken 2005

Acesso online. A biblioteca também possui exemplares impressos.

5
Electronic and structural properties of "C IND.59" Si on the monohydride Si(100) surface
Electronic and structural properties of "C IND.59" Si on the monohydride Si(100) surface
Material Type:
Artigo 		Adicionar ao Meu Espaço

Electronic and structural properties of "C IND.59" Si on the monohydride Si(100) surface

Ivana Zanella Adalberto Fazzio; Antonio Jose Roque da Silva

International Journal of Quantum Chemistry v. 103, n. 5, p. 557-561, 2005

New York 2005

Acesso online

6
Generator coordinate hartree-fock method applied to the choice of a contracted gaussian basis for the second-row atoms
Generator coordinate hartree-fock method applied to the choice of a contracted gaussian basis for the second-row atoms
Material Type:
Artigo 		Adicionar ao Meu Espaço

Generator coordinate hartree-fock method applied to the choice of a contracted gaussian basis for the second-row atoms

J. C. Pinheiro Alberico Borges Ferreira da Silva; M Trsic

New York v.63, n.5 , p.927-34, 1997 International Journal of Quantum Chemistry

New York 1997

Localização: IQSC - Inst. Química de São Carlos    (P3781 )(Acessar)

7
Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set 'XE''F IND.2'
Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set 'XE''F IND.2'
Material Type:
Artigo 		Adicionar ao Meu Espaço

Ab initio calculations of relativistic and electron correlation effects in polyatomics using the universal gaussian basis set 'XE''F IND.2'

G L Malli J Styszynski; Alberico Borges Ferreira da Silva

New York v.55, n.3 , p.213-25, aug. 1995 International Journal of Quantum Chemistry

New York 1995

Localização: IQSC - Inst. Química de São Carlos    (P2742 )(Acessar)

8
An AM1 study on the electron-donating and electron-accepting character of biomolecules
An AM1 study on the electron-donating and electron-accepting character of biomolecules
Material Type:
Artigo 		Adicionar ao Meu Espaço

An AM1 study on the electron-donating and electron-accepting character of biomolecules

Káthia Maria Honório Alberico Borges Ferreira da Silva

International Journal of Quantum Chemistry Hoboken v. 95, n. 2, p. 126-132, 2003

Hoboken 2003

Localização: IQSC - Inst. Química de São Carlos    (P7118 )(Acessar)

9
Energy lowering of current-carrying single-particle states in open-shell atoms due to an exchange-correlation vector potential
Energy lowering of current-carrying single-particle states in open-shell atoms due to an exchange-correlation vector potential
Material Type:
Artigo 		Adicionar ao Meu Espaço

Energy lowering of current-carrying single-particle states in open-shell atoms due to an exchange-correlation vector potential

E Orestes Alberico Borges Ferreira da Silva; Klaus Capelle

International Journal of Quantum Chemistry Hoboken v. 103, n. 5, p. 516-522, 2005

Hoboken 2005

Acesso online. A biblioteca também possui exemplares impressos.

10
Electronic and structural properties of "C IND.59" Si on the monohydride Si(100) surface
Electronic and structural properties of "C IND.59" Si on the monohydride Si(100) surface
Material Type:
Artigo 		Adicionar ao Meu Espaço

Electronic and structural properties of "C IND.59" Si on the monohydride Si(100) surface

Ivana Zanella Adalberto Fazzio; Antonio Jose Roque da Silva

International Journal of Quantum Chemistry v. 103, n. 5, p. 557-561, 2005

New York 2005

Acesso online

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