Koblar Alan Jackson

22PUBLICATIONS
67CO-AUTHORS
Catalysis and mechanisms of reactionsTheoretical quantum chemistryNonlinear optics and spectroscopyRadiation and matterComputational chemistry
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Publications (22)

|Jul 20, 2026
Assessing Self-Interaction Corrections in the Selective Catalytic Reduction of NO on a Cu-SSZ-13 Zeolite Cluster Model.

|May 29, 2026
Local Spin Density Approximation Strongly Improved by a Better-Informed Local Scaling of Its Self-Interaction Correction.

|Apr 08, 2026
Atom-specific vibrational analysis reveals labile bonds in linear and branched PFOA molecules.

Jesús N Pedroza-Montero, Kushantha P K Withanage, Anri Karanovich

|Feb 20, 2026
Noniterative Fermi-Löwdin Orbitals for Self-Interaction Correction.

Juan E Peralta, Koblar A Jackson, Mark R Pederson

|Apr 08, 2025
The electron localization function and the chemical interpretation of Fermi orbital descriptors in Fermi-Löwdin self-interaction correction calculations.

Duyen B Nguyen, Carlos Cárdenas, Jerónimo Lira

|Mar 07, 2025
Atomic ionization: sd energy imbalance and Perdew-Zunger self-interaction correction energy penalty in 3d atoms.

Rohan Maniar, Priyanka B Shukla, J Karl Johnson

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Frequent Collaborators

11 joint publications

Juan E Peralta

7 joint publications

Mark R Pederson

6 joint publications

J Karl Johnson

5 joint publications

Tunna Baruah