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Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H3O2.
J Phys Chem A. 2024 Apr 25;128(16):3212-3219. doi: 10.1021/acs.jpca.4c01044. Epub 2024 Apr 16.
J Phys Chem A. 2024.
PMID: 38624168
Free PMC article.
Nuclear Quantum Effects in Hydroxide Hydrate Along the H-Bond Bifurcation Pathway.
Arandhara M, Ramesh SG.
Arandhara M, et al.
J Phys Chem A. 2024 Mar 7;128(9):1600-1610. doi: 10.1021/acs.jpca.3c08027. Epub 2024 Feb 23.
J Phys Chem A. 2024.
PMID: 38393819
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Nuclear quantum effects in gas-phase 2-fluoroethanol.
Arandhara M, Ramesh SG.
Arandhara M, et al.
Phys Chem Chem Phys. 2024 Feb 22;26(8):6885-6902. doi: 10.1039/d3cp05657k.
Phys Chem Chem Phys. 2024.
PMID: 38333949
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