Andrew Mahler

Affiliations: 
University of North Texas, Denton, TX, United States 
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"Andrew Mahler"
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Mahler A, Determan JJ, Wilson AK. (2019) Correlation consistent basis sets designed for density functional theory: Second-row (Al-Ar) The Journal of Chemical Physics. 151: 064110
Mahler A, Janesko BG, Moncho S, et al. (2018) When Hartree-Fock exchange admixture lowers DFT-predicted barrier heights: Natural bond orbital analyses and implications for catalysis. The Journal of Chemical Physics. 148: 244106
Mahler A, Janesko BG, Moncho S, et al. (2017) Why are GGAs so accurate for reaction kinetics on surfaces? Systematic comparison of hybrid vs. nonhybrid DFT for representative reactions. The Journal of Chemical Physics. 146: 234103
Mahler A, Janesko BG. (2016) Revisiting alternative pathways in the Fischer–Tropsch process: Accurate density functional theory calculations on “magic” Ru12 clusters International Journal of Quantum Chemistry. 116: 1451-1458
Mahler A, Wilson AK. (2015) Correlation consistent basis sets for the atoms In-Xe. The Journal of Chemical Physics. 142: 084102
Das SK, Mahler A, Wilson AK, et al. (2014) High-potential perfluorinated phthalocyanine-fullerene dyads for generation of high-energy charge-separated states: formation and photoinduced electron-transfer studies. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 2462-72
Das SK, Song B, Mahler A, et al. (2014) Electron transfer studies of high potential zinc porphyrin-fullerene supramolecular dyads Journal of Physical Chemistry C. 118: 3994-4006
Mahler A, Wilson AK. (2013) Explicitly Correlated Methods within the ccCA Methodology. Journal of Chemical Theory and Computation. 9: 1402-7
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