#### Filter Results:

- Full text PDF available (6)

#### Publication Year

2000

2018

- This year (4)
- Last 5 years (17)
- Last 10 years (21)

#### Publication Type

#### Co-author

#### Journals and Conferences

Learn More

- Roberto Luiz A Haiduke, AlbÃ©rico B. F. da Silva
- Journal of Computational Chemistry
- 2006

- Roberto Luiz A Haiduke, Roy E. Bruns
- The journal of physical chemistry. A
- 2005

The molecular dipole moment and its derivatives are determined from atomic charges, atomic dipoles, and their fluxes obtained from AIM formalism and calculated at the MP2(FC)/6-311++G(3d,3p) levelâ€¦ (More)

- Roberto Luiz A Haiduke, AlbÃ©rico B. F. da Silva
- Journal of Computational Chemistry
- 2006

Accurate relativistic adapted Gaussian basis sets (RAGBSs) from Cs (Z = 55) through Rn (Z = 86) without variational prolapse were developed by using the polynomial version of the Generator Coordinateâ€¦ (More)

- Roberto Luiz A Haiduke, Luiz Guilherme M de Macedo, Rugles C Barbosa, AlbÃ©rico Borges Ferreira da Silva
- Journal of computational chemistry
- 2004

A polynomial version of the Generator Coordinate Dirac-Fock (p-GCDF) method is introduced and applied to develop Adapted Gaussian Basis Sets (AGBS) for helium- and beryllium-like atomic species (He,â€¦ (More)

- RÃ©gis Tadeu Santiago, Tiago Quevedo Teodoro, Roberto Luiz A Haiduke
- Physical chemistry chemical physics : PCCP
- 2014

The nuclear electric quadrupole moment (NQM) of the (63)Cu nucleus was determined from an indirect approach by combining accurate experimental nuclear quadrupole coupling constants (NQCCs) withâ€¦ (More)

- A Fernando Silva, JoÃ£o ViÃ§ozo da Silva, Roberto Luiz A Haiduke, Roy E. Bruns
- The journal of physical chemistry. A
- 2011

Infrared fundamental vibrational intensities and quantum theory atoms in molecules (QTAIM) charge-charge flux-dipole flux (CCFDF) contributions to the polar tensors of the fluorochloromethanes haveâ€¦ (More)

- Tiago Quevedo Teodoro, AlbÃ©rico Borges Ferreira da Silva, Roberto Luiz A Haiduke
- Journal of chemical theory and computation
- 2014

A series of relativistic prolapse-free Gaussian basis sets of quadruple-Î¶ quality has been developed: (aug-)RPF-4Z. Here, we report the (aug-)RPF-4Z sets for all the d-block elements (Sc-Cn).â€¦ (More)

- Tiago Quevedo Teodoro, Roberto Luiz A Haiduke, Umakanth Dammalapati, Steven Knoop, Lucas Visscher
- The Journal of chemical physics
- 2015

The potential energy curve for the ground-state of radium dimer (Ra2) is provided by means of atomic and molecular relativistic coupled cluster calculations. The short-range part of this curve isâ€¦ (More)

- Tiago Quevedo Teodoro, Roberto Luiz A Haiduke
- Journal of Computational Chemistry
- 2013

Accurate relativistic adapted Gaussian basis sets (RAGBSs) for 87 Fr up to 118 Uuo atoms without variational prolapse were developed here with the use of a polynomial version of the Generatorâ€¦ (More)

- SÃ©rgio Henrique D. M. Faria, JoÃ£o ViÃ§ozo da Silva, Roberto Luiz A Haiduke, Luciano N. Vidal, Pedro Mansilla VÃ¡zquez, Roy E. Bruns
- The journal of physical chemistry. A
- 2007

The molecular dipole moments, their derivatives, and the fundamental IR intensities of the X2CY (X = H, F, Cl; Y = O, S) molecules are determined from QTAIM atomic charges and dipoles and theirâ€¦ (More)