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The first HyDRA challenge for computational vibrational spectroscopy.
Phys Chem Chem Phys. 2023 Aug 23;25(33):22089-22102. doi: 10.1039/d3cp01216f.
Phys Chem Chem Phys. 2023.
PMID: 37610422
Free article.
Coupled proton vibrations between two weak acids: the hinge complex between formic acid and trifluoroethanol.
Schweer SM, Nejad A, Suhm MA.
Schweer SM, et al.
Phys Chem Chem Phys. 2022 Nov 9;24(43):26449-26457. doi: 10.1039/d2cp04176f.
Phys Chem Chem Phys. 2022.
PMID: 36300486
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Formic acid-methanol complexation vs. esterification: elusive pre-reactive species identified by vibrational spectroscopy.
Schweer SM, Gawrilow M, Nejad A, Suhm MA.
Schweer SM, et al.
Phys Chem Chem Phys. 2023 Nov 8;25(43):29982-29992. doi: 10.1039/d3cp04705a.
Phys Chem Chem Phys. 2023.
PMID: 37904580
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