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Intramolecular Proton Transfer in the Hydrogen Oxalate Anion and the Cooperativity Effects of the Low-Frequency Vibrations: A Driven Molecular Dynamics Study.
J Phys Chem A. 2022 Feb 3;126(4):583-592. doi: 10.1021/acs.jpca.1c09686. Epub 2022 Jan 20.
J Phys Chem A. 2022.
PMID: 35049313
Assignment of Infrared-Active Combination Bands in the Vibrational Spectra of Protonated Molecular Clusters Using Driven Classical Trajectories: Application to N4H+ and N4D.
Hooper R, Boutwell D, Kaledin M.
Hooper R, et al. Among authors: boutwell d.
J Phys Chem A. 2019 Jul 5;123(26):5613-5620. doi: 10.1021/acs.jpca.9b04480. Epub 2019 Jun 24.
J Phys Chem A. 2019.
PMID: 31244119
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Analysis of the Proton Transfer Bands in the Infrared Spectra of Linear N2H+···OC and N2D+···OC Complexes Using Electric Field-Driven Classical Trajectories.
Boutwell D, Okere O, Omodemi O, Toledo A, Barrios A, Olocha M, Kaledin M.
Boutwell D, et al.
J Phys Chem A. 2020 Sep 17;124(37):7549-7558. doi: 10.1021/acs.jpca.0c06756. Epub 2020 Sep 2.
J Phys Chem A. 2020.
PMID: 32808782
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