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Mapping the frontier orbital energies of imidazolium-based cations using machine learning.
J Chem Phys. 2023 Aug 14;159(6):064513. doi: 10.1063/5.0155775.
J Chem Phys. 2023.
PMID: 37579028
Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces.
Mortier J, Dhakal P, Volkamer A.
Mortier J, et al. Among authors: dhakal p.
Molecules. 2018 Aug 6;23(8):1959. doi: 10.3390/molecules23081959.
Molecules. 2018.
PMID: 30082611
Free PMC article.
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Expanding the Solubility Parameter Method MOSCED to Pyridinium-, Quinolinium-, Pyrrolidinium-, Piperidinium-, Bicyclic-, Morpholinium-, Ammonium-, Phosphonium-, and Sulfonium-Based Ionic Liquids.
Dhakal P, Weise AR, Fritsch MC, O'Dell CM, Paluch AS.
Dhakal P, et al.
ACS Omega. 2020 Feb 19;5(8):3863-3877. doi: 10.1021/acsomega.9b03087. eCollection 2020 Mar 3.
ACS Omega. 2020.
PMID: 32149213
Free PMC article.
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