Alex Maldonado - Publications

2018- University of Pittsburgh, Pittsburgh, PA, United States 

5 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Eikey EA, Maldonado AM, Griego CD, von Rudorff GF, Keith JA. Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen. The Journal of Chemical Physics. 156: 204111. PMID 35649833 DOI: 10.1063/5.0079487  0.616
2022 Eikey EA, Maldonado AM, Griego CD, von Rudorff GF, Keith JA. Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states. The Journal of Chemical Physics. 156: 064106. PMID 35168341 DOI: 10.1063/5.0079483  0.614
2021 Maldonado AM, Hagiwara S, Choi TH, Eckert F, Schwarz K, Sundararaman R, Otani M, Keith JA. Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms. The Journal of Physical Chemistry. A. PMID 33393781 DOI: 10.1021/acs.jpca.0c08961  0.677
2020 Maldonado AM, Basdogan Y, Berryman JT, Rempe SB, Keith JA. First-principles modeling of chemistry in mixed solvents: Where to go from here? The Journal of Chemical Physics. 152: 130902. PMID 32268733 DOI: 10.1063/1.5143207  0.652
2020 Basdogan Y, Maldonado AM, Keith JA. Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicals Wiley Interdisciplinary Reviews: Computational Molecular Science. 10. DOI: 10.1002/Wcms.1446  0.642
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