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Refinado por: autor: Haiduke, R remover Biblioteca: IQSC - Inst. Química de São Carlos remover
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1
The employment of relativistic adapted Gaussian basis sets in Douglas-Kroll-Hess scalar calculations with diatomic molecules
The employment of relativistic adapted Gaussian basis sets in Douglas-Kroll-Hess scalar calculations with diatomic molecules
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The employment of relativistic adapted Gaussian basis sets in Douglas-Kroll-Hess scalar calculations with diatomic molecules

Roberto Luiz Andrade Haiduke Moacyr Comar Junior; Alberico Borges Ferreira da Silva

Chemical Physics Amsterdam v. 331, n. 1, p. 173-177, 2006

Amsterdam 2006

Acesso online. A biblioteca também possui exemplares impressos.

2
A theoretical study on the Xe'F IND.2' molecule
A theoretical study on the Xe'F IND.2' molecule
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A theoretical study on the Xe'F IND.2' molecule

Roberto Luiz Andrade Haiduke Harley de Paiva Martins Filho; Alberico Borges Ferreira da Silva

Chemical Physics Amsterdam v. 348, n. 1-3, p. 89-96, 2008

Amsterdam 2008

Acesso online. A biblioteca também possui exemplares impressos.

3
Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters
Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters
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Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters

Wagner F.D. Angelotti Roberto Luiz Andrade Haiduke; Alberico Borges Ferreira da Silva

Chemical Physics Amsterdam: Elsevier BV v.565, p.111767, 2023

Amsterdam 2023

Localização: IQSC - Inst. Química de São Carlos    (P20150 )(Acessar)

4
The employment of relativistic adapted Gaussian basis sets in Douglas-Kroll-Hess scalar calculations with diatomic molecules
The employment of relativistic adapted Gaussian basis sets in Douglas-Kroll-Hess scalar calculations with diatomic molecules
Material Type:
Artigo 		Adicionar ao Meu Espaço

The employment of relativistic adapted Gaussian basis sets in Douglas-Kroll-Hess scalar calculations with diatomic molecules

Roberto Luiz Andrade Haiduke Moacyr Comar Junior; Alberico Borges Ferreira da Silva

Chemical Physics Amsterdam v. 331, n. 1, p. 173-177, 2006

Amsterdam 2006

Acesso online. A biblioteca também possui exemplares impressos.

5
A theoretical study on the Xe'F IND.2' molecule
A theoretical study on the Xe'F IND.2' molecule
Material Type:
Artigo 		Adicionar ao Meu Espaço

A theoretical study on the Xe'F IND.2' molecule

Roberto Luiz Andrade Haiduke Harley de Paiva Martins Filho; Alberico Borges Ferreira da Silva

Chemical Physics Amsterdam v. 348, n. 1-3, p. 89-96, 2008

Amsterdam 2008

Acesso online. A biblioteca também possui exemplares impressos.

6
The nuclear electric moment of hafnium from the molecular method
The nuclear electric moment of hafnium from the molecular method
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The nuclear electric moment of hafnium from the molecular method

Roberto Luiz Andrade Haiduke

Chemical Physics Letters Amsterdam v. 544, p. 13-16, 2012

Amsterdam 2012

Localização: IQSC - Inst. Química de São Carlos    (P13827 )(Acessar)

7
Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory
Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory
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Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory

Roberto Luiz Andrade Haiduke Rodney J Bartlett

Journal of Chemical Physics v. 148, p. 184106(1-13), 2018

New York 2018

Localização: IQSC - Inst. Química de São Carlos    (P17463 )(Acessar)

8
Can excitation energies be obtained from orbital energies in a correlated orbital theory?
Can excitation energies be obtained from orbital energies in a correlated orbital theory?
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Can excitation energies be obtained from orbital energies in a correlated orbital theory?

Roberto Luiz Andrade Haiduke Rodney J Bartlett

Journal of Chemical Physics v. 149, p. 131101-131107, Oct. 2018

Melvile, NY 2018

Localização: IQSC - Inst. Química de São Carlos    (P17825 )(Acessar)

9
Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8 electronic properties and structural distortions
Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8 electronic properties and structural distortions
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Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8 electronic properties and structural distortions

Fernando Steffler Roberto Luiz Andrade Haiduke

Physical Chemistry Chemical Physics Cambridge: Royal Society of Chemistry v. 24, p. 13083-13093, 2022

Cambridge 2022

Localização: IQSC - Inst. Química de São Carlos    (P19912 )(Acessar)

10
The nuclear eletric quadrupole moment of antimony from the molecular method
The nuclear eletric quadrupole moment of antimony from the molecular method
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The nuclear eletric quadrupole moment of antimony from the molecular method

Roberto Luiz Andrade Haiduke Alberico Borges Ferreira da Silva; Lucas Visscher

Journal of Chemical Physics New York v. 125, n. 6, p. 064301-1, 2006

New York 2006

Acesso online. A biblioteca também possui exemplares impressos.

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Deste Autor:

  1. Haiduke, R
  2. Silva, A
  3. Visscher, L
  4. Terrabuio, L
  5. Santiago, R

Neste Assunto:

  1. Química Teórica
  2. Química Quântica
  3. Química
  4. Relatividade (Física)
  5. Gases Nobres

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

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