Alex Maldonado - Publications
Affiliations: | 2018- | University of Pittsburgh, Pittsburgh, PA, United States |
Year | Citation | Score | |||
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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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