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Chemsuschem|August 12, 2008
Oriented nanostructures for energy conversion and storageJun Liu, Guozhong Cao, Zhenguo Yang, et al.Physical Review Letters|October 2, 2009
Tuning molecule-mediated spin coupling in bottom-up-fabricated vanadium-tetracyanoethylene nanostructuresDaniel Wegner, Ryan Yamachika, Xiaowei Zhang, et al.Infant Behavior & Development|November 14, 2008
Validation of a short version of the maternal behavior Q-set applied to a brief video record of mother-infant interactionGeorge M Tarabulsy, Marc A Provost, Stéphanie Bordeleau, et al.Journal of Chemical Theory and Computation|May 29, 2026
Local Spin Density Approximation Strongly Improved by a Better-Informed Local Scaling of Its Self-Interaction CorrectionChandra Shahi, Rohan Maniar, Jinliang Ning, et al.The Journal of Physical Chemistry. A|February 20, 2026
Noniterative Fermi-Löwdin Orbitals for Self-Interaction CorrectionJuan E Peralta, Koblar A Jackson, Mark R Pederson, et al.The Journal of Chemical Physics|March 1, 2023
Downward quantum learning from element 118: Automated generation of Fermi-Löwdin orbitals for all atomsMark R Pederson, Alexander I Johnson, Kushantha P K Withanage, et al.The Journal of Chemical Physics|April 8, 2026
Atom-specific vibrational analysis reveals labile bonds in linear and branched PFOA moleculesJesús N Pedroza-Montero, Kushantha P K Withanage, Anri Karanovich, et al.The Journal of Chemical Physics|October 20, 2023
Use of FLOSIC for understanding anion-solvent interactionsMark R Pederson, Kushantha P K Withanage, Zahra Hooshmand, et al.Journal of Chemical Theory and Computation|September 28, 2023
A Perspective on Sustainable Computational Chemistry Software Development and IntegrationRosa Di Felice, Maricris L Mayes, Ryan M Richard, et al.The Journal of Chemical Physics|October 21, 2024
Electronic structure simulations in the cloud computing environmentEric J Bylaska, Ajay Panyala, Nicholas P Bauman, et al.Pageof 8