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Journal of Chemical Theory and Computation
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April 22, 2024
Beyond Explored Functionals: A Computational Journey of Two-Photon Absorption
Ismael A Elayan, Laura Rib, Rodrigo A Mendes, et al.
The Journal of Chemical Physics
|
November 4, 2025
Benchmarking ionization potentials and electron affinities of potential photovoltaic molecules using DFT/QTP functionals and EOM-CC
Hyunsik Kim, Ajith Perera, Rodrigo A Mendes, et al.
The Journal of Chemical Physics
|
February 20, 2021
The Devil's Triangle of Kohn-Sham density functional theory and excited states
Rodrigo A Mendes, Roberto L A Haiduke, Rodney J Bartlett
The Journal of Physical Chemistry. A
|
May 20, 2026
On the Performance of QTP Functionals Applied to Second-Order Response Properties II: Dynamic Polarizability and Long-Range C<sub>6</sub> Coefficients
Rodrigo A Mendes, Peter R Franke, Ajith Perera, et al.
The Journal of Chemical Physics
|
February 3, 2025
On the performance of QTP functionals applied to second-order response properties
Rodrigo A Mendes, Zachary W Windom, Hyunsik Kim, et al.
The Journal of Chemical Physics
|
November 12, 2025
cQTP25: A new exchange-correlation functional for core-electron ionization energy
Rodrigo A Mendes, Nathanael J King, Alex Brown, et al.
The Journal of Chemical Physics
|
February 6, 2026
Does correlated orbital theory improve PBE-like functionals?
Rodrigo A Mendes, Zachary W Windom, Roberto L A Haiduke, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2024
A density functional theory benchmark on antioxidant-related properties of polyphenols
Rodrigo A Mendes, Victor A S da Mata, Alex Brown, et al.
Journal of Molecular Modeling
|
March 24, 2018
Probing the antioxidant potential of phloretin and phlorizin through a computational investigation
Rodrigo A Mendes, Bruno L S E Silva, Renata Takeara, et al.
Journal of Molecular Modeling
|
March 9, 2019
Evaluation of the antioxidant potential of myricetin 3-O-α-L-rhamnopyranoside and myricetin 4<sup>'</sup>-O-α-L-rhamnopyranoside through a computational study
Rodrigo A Mendes, Shawan K C Almeida, Iuri N Soares, et al.
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of 2
Search research articles
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Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
April 22, 2024
Beyond Explored Functionals: A Computational Journey of Two-Photon Absorption
Ismael A Elayan, Laura Rib, Rodrigo A Mendes, et al.
The Journal of Chemical Physics
|
November 4, 2025
Benchmarking ionization potentials and electron affinities of potential photovoltaic molecules using DFT/QTP functionals and EOM-CC
Hyunsik Kim, Ajith Perera, Rodrigo A Mendes, et al.
The Journal of Chemical Physics
|
February 20, 2021
The Devil's Triangle of Kohn-Sham density functional theory and excited states
Rodrigo A Mendes, Roberto L A Haiduke, Rodney J Bartlett
The Journal of Physical Chemistry. A
|
May 20, 2026
On the Performance of QTP Functionals Applied to Second-Order Response Properties II: Dynamic Polarizability and Long-Range C<sub>6</sub> Coefficients
Rodrigo A Mendes, Peter R Franke, Ajith Perera, et al.
The Journal of Chemical Physics
|
February 3, 2025
On the performance of QTP functionals applied to second-order response properties
Rodrigo A Mendes, Zachary W Windom, Hyunsik Kim, et al.
The Journal of Chemical Physics
|
November 12, 2025
cQTP25: A new exchange-correlation functional for core-electron ionization energy
Rodrigo A Mendes, Nathanael J King, Alex Brown, et al.
The Journal of Chemical Physics
|
February 6, 2026
Does correlated orbital theory improve PBE-like functionals?
Rodrigo A Mendes, Zachary W Windom, Roberto L A Haiduke, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2024
A density functional theory benchmark on antioxidant-related properties of polyphenols
Rodrigo A Mendes, Victor A S da Mata, Alex Brown, et al.
Journal of Molecular Modeling
|
March 24, 2018
Probing the antioxidant potential of phloretin and phlorizin through a computational investigation
Rodrigo A Mendes, Bruno L S E Silva, Renata Takeara, et al.
Journal of Molecular Modeling
|
March 9, 2019
Evaluation of the antioxidant potential of myricetin 3-O-α-L-rhamnopyranoside and myricetin 4<sup>'</sup>-O-α-L-rhamnopyranoside through a computational study
Rodrigo A Mendes, Shawan K C Almeida, Iuri N Soares, et al.
Page
of 2