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The Journal of Physical Chemistry Letters
|
October 27, 2018
Additional Insights between Fermi-Löwdin Orbital SIC and the Localization Equation Constraints in SIC-DFT
Fredy W Aquino, Bryan M Wong
The Journal of Physical Chemistry. A
|
January 2, 2014
Time-dependent density functional methods for Raman spectra in open-shell systems
Fredy W Aquino, George C Schatz
Journal of Computational Chemistry
|
February 12, 2020
Fractional occupation numbers and self-interaction correction-scaling methods with the Fermi-Löwdin orbital self-interaction correction approach
Fredy W Aquino, Ravindra Shinde, Bryan M Wong
Nature Communications
|
November 11, 2018
The diamine cation is not a chemical example where density functional theory fails
Zulfikhar A Ali, Fredy W Aquino, Bryan M Wong
Journal of Chemical Theory and Computation
|
December 5, 2017
Halogen Bonding Interactions: Revised Benchmarks and a New Assessment of Exchange vs Dispersion
Lindsey N Anderson, Fredy W Aquino, Alexandra E Raeber, et al.
The Journal of Physical Chemistry Letters
|
March 20, 2018
Correlating Li<sup>+</sup>-Solvation Structure and its Electrochemical Reaction Kinetics with Sulfur in Subnano Confinement
Chengyin Fu, Lihua Xu, Fredy W Aquino, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry Letters
|
October 27, 2018
Additional Insights between Fermi-Löwdin Orbital SIC and the Localization Equation Constraints in SIC-DFT
Fredy W Aquino, Bryan M Wong
The Journal of Physical Chemistry. A
|
January 2, 2014
Time-dependent density functional methods for Raman spectra in open-shell systems
Fredy W Aquino, George C Schatz
Journal of Computational Chemistry
|
February 12, 2020
Fractional occupation numbers and self-interaction correction-scaling methods with the Fermi-Löwdin orbital self-interaction correction approach
Fredy W Aquino, Ravindra Shinde, Bryan M Wong
Nature Communications
|
November 11, 2018
The diamine cation is not a chemical example where density functional theory fails
Zulfikhar A Ali, Fredy W Aquino, Bryan M Wong
Journal of Chemical Theory and Computation
|
December 5, 2017
Halogen Bonding Interactions: Revised Benchmarks and a New Assessment of Exchange vs Dispersion
Lindsey N Anderson, Fredy W Aquino, Alexandra E Raeber, et al.
The Journal of Physical Chemistry Letters
|
March 20, 2018
Correlating Li<sup>+</sup>-Solvation Structure and its Electrochemical Reaction Kinetics with Sulfur in Subnano Confinement
Chengyin Fu, Lihua Xu, Fredy W Aquino, et al.
Page
of 1