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1
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.

2
An atomic charge study of highly ionic diatomic molecular systems
An atomic charge study of highly ionic diatomic molecular systems
Material Type:
Artigo 		Adicionar ao Meu Espaço

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.

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:
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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
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.

8
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.

9
Semiempirical simulation of a theta-class glutathione S-transferase-catalyzed glutathione attack to the allelochemical DIMBOA
Semiempirical simulation of a theta-class glutathione S-transferase-catalyzed glutathione attack to the allelochemical DIMBOA
Material Type:
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Semiempirical simulation of a theta-class glutathione S-transferase-catalyzed glutathione attack to the allelochemical DIMBOA

Sant'Anna, Carlos Mauricio R. ; De Souza, Vivian Passos ; Santos De Andrade, Deogenes

International journal of quantum chemistry, 2002, Vol.87 (5), p.311-321 [Periódico revisado por pares]

New York: Wiley Subscription Services, Inc., A Wiley Company

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Deste Autor:

  1. Haiduke, R
  2. Silva, A
  3. Macedo, L
  4. Barbosa, R
  5. Morgon, N

Neste Assunto:

  1. Química Quântica
  2. Química Teórica
  3. Química
  4. Reaction Mechanism
  5. Mathematics

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

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