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Coupled proton vibrations between two weak acids: the hinge complex between formic acid and trifluoroethanol.
Phys Chem Chem Phys. 2022 Nov 9;24(43):26449-26457. doi: 10.1039/d2cp04176f.
Phys Chem Chem Phys. 2022.
PMID: 36300486
The first HyDRA challenge for computational vibrational spectroscopy.
Fischer TL, Bödecker M, Schweer SM, Dupont J, Lepère V, Zehnacker-Rentien A, Suhm MA, Schröder B, Henkes T, Andrada DM, Balabin RM, Singh HK, Bhattacharyya HP, Sarma M, Käser S, Töpfer K, Vazquez-Salazar LI, Boittier ED, Meuwly M, Mandelli G, Lanzi C, Conte R, Ceotto M, Dietrich F, Cisternas V, Gnanasekaran R, Hippler M, Jarraya M, Hochlaf M, Viswanathan N, Nevolianis T, Rath G, Kopp WA, Leonhard K, Mata RA.
Fischer TL, et al. Among authors: schweer sm.
Phys Chem Chem Phys. 2023 Aug 23;25(33):22089-22102. doi: 10.1039/d3cp01216f.
Phys Chem Chem Phys. 2023.
PMID: 37610422
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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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