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Journal of Molecular Modeling
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October 27, 2016
Computational study of the interaction between NO, NO<sup>+</sup>, and NO<sup>-</sup> with H<sub>2</sub>O
Renato P Orenha, Letícia R San Gregorio, Sérgio E Galembeck
Journal of Molecular Modeling
|
January 5, 2019
Shedding light on the electronic structure of [Ru(η<sup>6</sup>-C<sub>16</sub>H<sub>16</sub>)(NH<sub>3</sub>)<sub>3</sub>]<sup>2+</sup> complex: a computational insight
Renato P Orenha, Giovanni F Caramori, Alechania Misturini, et al.
Journal of Computational Chemistry
|
November 9, 2021
Assessment of the van der Waals, Hubbard U parameter and spin-orbit coupling corrections on the 2D/3D structures from metal gold congeners clusters
Maurício J Piotrowski, Renato P Orenha, Renato L T Parreira, et al.
Chemistryopen
|
June 23, 2017
Nature of the Ru-NO Coordination Bond: Kohn-Sham Molecular Orbital and Energy Decomposition Analysis
Renato P Orenha, Marcus V J Rocha, Jordi Poater, et al.
Dalton Transactions (Cambridge, England : 2003)
|
December 14, 2019
A theoretical indicator of transition-metal nanoclusters applied in the carbon nanotube nucleation process: a DFT study
Carina S T Peraça, Glaucio R Nagurniak, Renato P Orenha, et al.
Dalton Transactions (Cambridge, England : 2003)
|
November 9, 2020
The bonding situation in heteromultimetallic carbonyl complexes
Alexandre O Ortolan, Giovanni F Caramori, Renato L T Parreira, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 8, 2022
The effect of different energy portions on the 2D/3D stability swapping for 13-atom metal clusters
Diego Guedes-Sobrinho, Renato P Orenha, Renato L T Parreira, et al.
The Journal of Physical Chemistry. A
|
July 10, 2020
Are DFT Methods Able to Predict Reduction Potentials of Ruthenium Nitrosyl Complexes Accurately?
Daniel F Coimbra, Claudia H Cintra, Luiz C L Lourenço, et al.
The Journal of Physical Chemistry. A
|
May 28, 2021
Stability Changes in Iridium Nanoclusters via Monoxide Adsorption: A DFT Study within the van der Waals Corrections
Alex F Yonezawa, Glaucio R Nagurniak, Renato P Orenha, et al.
Dalton Transactions (Cambridge, England : 2003)
|
May 1, 2020
CO, NO, and SO adsorption on Ni nanoclusters: a DFT investigation
Rairisson V de Amorim, Krys E A Batista, Glaucio R Nagurniak, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
Journal of Molecular Modeling
|
October 27, 2016
Computational study of the interaction between NO, NO<sup>+</sup>, and NO<sup>-</sup> with H<sub>2</sub>O
Renato P Orenha, Letícia R San Gregorio, Sérgio E Galembeck
Journal of Molecular Modeling
|
January 5, 2019
Shedding light on the electronic structure of [Ru(η<sup>6</sup>-C<sub>16</sub>H<sub>16</sub>)(NH<sub>3</sub>)<sub>3</sub>]<sup>2+</sup> complex: a computational insight
Renato P Orenha, Giovanni F Caramori, Alechania Misturini, et al.
Journal of Computational Chemistry
|
November 9, 2021
Assessment of the van der Waals, Hubbard U parameter and spin-orbit coupling corrections on the 2D/3D structures from metal gold congeners clusters
Maurício J Piotrowski, Renato P Orenha, Renato L T Parreira, et al.
Chemistryopen
|
June 23, 2017
Nature of the Ru-NO Coordination Bond: Kohn-Sham Molecular Orbital and Energy Decomposition Analysis
Renato P Orenha, Marcus V J Rocha, Jordi Poater, et al.
Dalton Transactions (Cambridge, England : 2003)
|
December 14, 2019
A theoretical indicator of transition-metal nanoclusters applied in the carbon nanotube nucleation process: a DFT study
Carina S T Peraça, Glaucio R Nagurniak, Renato P Orenha, et al.
Dalton Transactions (Cambridge, England : 2003)
|
November 9, 2020
The bonding situation in heteromultimetallic carbonyl complexes
Alexandre O Ortolan, Giovanni F Caramori, Renato L T Parreira, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 8, 2022
The effect of different energy portions on the 2D/3D stability swapping for 13-atom metal clusters
Diego Guedes-Sobrinho, Renato P Orenha, Renato L T Parreira, et al.
The Journal of Physical Chemistry. A
|
July 10, 2020
Are DFT Methods Able to Predict Reduction Potentials of Ruthenium Nitrosyl Complexes Accurately?
Daniel F Coimbra, Claudia H Cintra, Luiz C L Lourenço, et al.
The Journal of Physical Chemistry. A
|
May 28, 2021
Stability Changes in Iridium Nanoclusters via Monoxide Adsorption: A DFT Study within the van der Waals Corrections
Alex F Yonezawa, Glaucio R Nagurniak, Renato P Orenha, et al.
Dalton Transactions (Cambridge, England : 2003)
|
May 1, 2020
CO, NO, and SO adsorption on Ni nanoclusters: a DFT investigation
Rairisson V de Amorim, Krys E A Batista, Glaucio R Nagurniak, et al.
Page
of 3