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Nanni, Luca (2023) Modelling proton tunneling in hydrogen bonds through path integral method. Chemical Physics, 574. 112054 doi:10.1016/j.chemphys.2023.112054

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Reference TypeJournal (article/letter/editorial)
TitleModelling proton tunneling in hydrogen bonds through path integral method
JournalChemical Physics
AuthorsNanni, LucaAuthor
Year2023 (October)Volume574
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2023.112054Search in ResearchGate
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Mindat Ref. ID16683610Long-form Identifiermindat:1:5:16683610:3
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Full ReferenceNanni, Luca (2023) Modelling proton tunneling in hydrogen bonds through path integral method. Chemical Physics, 574. 112054 doi:10.1016/j.chemphys.2023.112054
Plain TextNanni, Luca (2023) Modelling proton tunneling in hydrogen bonds through path integral method. Chemical Physics, 574. 112054 doi:10.1016/j.chemphys.2023.112054
In(2023) Chemical Physics Vol. 574. Elsevier BV

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Nanni, Luca (2024) Investigating proton tunneling dynamics in the time‐dependent Schrödinger equation. Journal of Computational Chemistry, 45 (18) 1614-1623 doi:10.1002/jcc.27348
Durlak, Piotr, Latajka, Zdzisław (2010) Car–Parrinello and path integral molecular dynamics study of the hydrogen bonds in 2-acetyl-1,8-dihydroxy-3,6-dimethylnaphthalene. Chemical Physics Letters, 499. 56-61 doi:10.1016/j.cplett.2010.09.045
Sitnitsky, A.E. (2023) Model for vibrationally enhanced tunneling of proton transfer in hydrogen bond. Chemical Physics Letters, 813. 140294 doi:10.1016/j.cplett.2022.140294
Jabłoński, Mirosław (2010) Full vs. constrain geometry optimization in the open–closed method in estimating the energy of intramolecular charge-inverted hydrogen bonds. Chemical Physics, 376. 76-83 doi:10.1016/j.chemphys.2010.08.005
Nanni, Luca; Kaya, Savaş (2025) Importance of electronic and steric effects on proton tunneling dynamics of 2-substituted Malonaldehyde: A computational approach. Computational and Theoretical Chemistry, 1248. doi:10.1016/j.comptc.2025.115225
 
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