Marcos McAllister Mason

Quantum Mechanics, Biomolecular Modeling, AI/ML, Scientific Software

David A. Dixon	grad student	2017-2022	University of Alabama
(Studied interactions of transition metals and main group elements.)
Benjamin P. Pritchard	post-doc	2022-	Virginia Tech
(Molecular Sciences Software Institute)

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Lontchi E, Mason MM, Vasiliu M, et al. (2023) Prediction of the structures and heats of formation of MO, MO, and MO for M = V, Nb, Ta, Pa. Physical Chemistry Chemical Physics : Pccp. 25: 8355-8368
Mason MM, Wachs IE, Dixon DA. (2022) Assignment of Vibrational Bands of Critical Surface Species Containing Nitrogen in the Selective Catalytic Reduction of NO by NH. The Journal of Physical Chemistry. A. 127: 240-249
Mason MM, Dixon DA. (2022) Electronic Structure Investigation of NO and NO Binding on Vanadium Oxides. The Journal of Physical Chemistry. A. 126: 8618-8632
Gole JL, Chalek CL, Mason MM, et al. (2022) Observation of Selectively Populated Monohalide Excited States from the Reactions of Group 3 Metal (Sc, Y, and La) Monomers and Dimers with Halogen-Containing Molecules. The Journal of Physical Chemistry. A. 126: 3403-3426
Mason MM, Smith C, Vasiliu M, et al. (2021) Prediction of An(III)/Ln(III) Separation by 1,2,4-Triazinylpyridine Derivatives. The Journal of Physical Chemistry. A