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The Journal of Physical Chemistry. B
|
November 3, 2016
Formation and Release of NO from Ruthenium Nitrosyl Ammine Complexes [Ru(NH<sub>3</sub>)<sub>5</sub>(NO)]<sup>2+/3+</sup> in Aqueous Solution: A Theoretical Investigation
Gabriel L S Rodrigues, Willian R Rocha
The Journal of Physical Chemistry. A
|
October 27, 2023
Multiconfigurational Pair-Density Functional Theory Is More Complex than You May Think
Gabriel L S Rodrigues, Mikael Scott, Mickael G Delcey
RSC Advances
|
April 15, 2022
Electronic structure and mechanism for the uptake of nitric oxide by the Ru(iii) antitumor complex NAMI-A
Eufrásia S Pereira, Gabriel L S Rodrigues, Willian R Rocha
Journal of Chemical Theory and Computation
|
January 13, 2024
Variational Pair-Density Functional Theory: Dealing with Strong Correlation at the Protein Scale
Mikael Scott, Gabriel L S Rodrigues, Xin Li, et al.
The Journal of Physical Chemistry. A
|
May 7, 2020
Revisiting the Tropospheric OH-Initiated Unimolecular Decomposition of Chlorpyrifos and Chlorpyrifos-Methyl: A Theoretical Perspective
Mateus M Quintano, Gabriel L S Rodrigues, Marcelo A Chagas, et al.
Journal of Chemical Theory and Computation
|
July 1, 2026
A State-Averaged Formulation for Variational Multiconfigurational Pair-Density Functional Theory
Gabriel L S Rodrigues, Frederik Kamper Jørgensen, Mickael G Delcey, et al.
Structural Dynamics (Melville, N.Y.)
|
January 24, 2022
Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches
Gabriel L S Rodrigues, Elias Diesen, Johannes Voss, et al.
Journal of Chemical Theory and Computation
|
November 21, 2025
Magnetic Coupling in Non-Kekulé Diradical Hydrocarbons via Multiconfigurational Pair-Density Functional Theory
Gabriel L S Rodrigues, Mickael G Delcey, Gemma C Solomon, et al.
Nature Communications
|
November 12, 2022
Adsorption energies on transition metal surfaces: towards an accurate and balanced description
Rafael B Araujo, Gabriel L S Rodrigues, Egon Campos Dos Santos, et al.
The Science of the Total Environment
|
February 23, 2024
How do microplastics alter molluscicidal activity? Effects of weathered microplastics and niclosamide in developing freshwater snails
Cândido C Rodrigues, Cyntia A Y Harayashiki, Eufrásia S Pereira, et al.
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Search research articles
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Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. B
|
November 3, 2016
Formation and Release of NO from Ruthenium Nitrosyl Ammine Complexes [Ru(NH<sub>3</sub>)<sub>5</sub>(NO)]<sup>2+/3+</sup> in Aqueous Solution: A Theoretical Investigation
Gabriel L S Rodrigues, Willian R Rocha
The Journal of Physical Chemistry. A
|
October 27, 2023
Multiconfigurational Pair-Density Functional Theory Is More Complex than You May Think
Gabriel L S Rodrigues, Mikael Scott, Mickael G Delcey
RSC Advances
|
April 15, 2022
Electronic structure and mechanism for the uptake of nitric oxide by the Ru(iii) antitumor complex NAMI-A
Eufrásia S Pereira, Gabriel L S Rodrigues, Willian R Rocha
Journal of Chemical Theory and Computation
|
January 13, 2024
Variational Pair-Density Functional Theory: Dealing with Strong Correlation at the Protein Scale
Mikael Scott, Gabriel L S Rodrigues, Xin Li, et al.
The Journal of Physical Chemistry. A
|
May 7, 2020
Revisiting the Tropospheric OH-Initiated Unimolecular Decomposition of Chlorpyrifos and Chlorpyrifos-Methyl: A Theoretical Perspective
Mateus M Quintano, Gabriel L S Rodrigues, Marcelo A Chagas, et al.
Journal of Chemical Theory and Computation
|
July 1, 2026
A State-Averaged Formulation for Variational Multiconfigurational Pair-Density Functional Theory
Gabriel L S Rodrigues, Frederik Kamper Jørgensen, Mickael G Delcey, et al.
Structural Dynamics (Melville, N.Y.)
|
January 24, 2022
Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches
Gabriel L S Rodrigues, Elias Diesen, Johannes Voss, et al.
Journal of Chemical Theory and Computation
|
November 21, 2025
Magnetic Coupling in Non-Kekulé Diradical Hydrocarbons via Multiconfigurational Pair-Density Functional Theory
Gabriel L S Rodrigues, Mickael G Delcey, Gemma C Solomon, et al.
Nature Communications
|
November 12, 2022
Adsorption energies on transition metal surfaces: towards an accurate and balanced description
Rafael B Araujo, Gabriel L S Rodrigues, Egon Campos Dos Santos, et al.
The Science of the Total Environment
|
February 23, 2024
How do microplastics alter molluscicidal activity? Effects of weathered microplastics and niclosamide in developing freshwater snails
Cândido C Rodrigues, Cyntia A Y Harayashiki, Eufrásia S Pereira, et al.
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of 2