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Year | Number of Results |
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2020 | 2 |
2021 | 2 |
2022 | 1 |
2023 | 3 |
2024 | 0 |
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Page 1
Setting up the HyDRA blind challenge for the microhydration of organic molecules.
Phys Chem Chem Phys. 2022 May 18;24(19):11442-11454. doi: 10.1039/d2cp01119k.
Phys Chem Chem Phys. 2022.
PMID: 35522931
Review.
Microhydration of Tertiary Amines: Robust Resonances in Red-Shifted Water.
Lwin E, Fischer TL, Suhm MA.
Lwin E, et al. Among authors: fischer tl.
J Phys Chem Lett. 2023 Nov 16;14(45):10194-10199. doi: 10.1021/acs.jpclett.3c02517. Epub 2023 Nov 6.
J Phys Chem Lett. 2023.
PMID: 37930195
Free PMC article.
Item in Clipboard
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.
Phys Chem Chem Phys. 2023 Aug 23;25(33):22089-22102. doi: 10.1039/d3cp01216f.
Phys Chem Chem Phys. 2023.
PMID: 37610422
Free article.
Item in Clipboard
Hydrogen sharing between two nitroxyl radicals in the gas phase and other microsolvation effects on the infrared spectrum of a bulky hydroxylamine.
Fischer TL, Tepaske MA, Suhm MA.
Fischer TL, et al.
Phys Chem Chem Phys. 2023 Apr 26;25(16):11324-11330. doi: 10.1039/d3cp01156a.
Phys Chem Chem Phys. 2023.
PMID: 37040157
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The Hydrates of TEMPO: Water Vibrations Reveal Radical Microsolvation.
Brás EM, Fischer TL, Suhm MA.
Brás EM, et al. Among authors: fischer tl.
Angew Chem Int Ed Engl. 2021 Aug 23;60(35):19013-19017. doi: 10.1002/anie.202104496. Epub 2021 Jul 28.
Angew Chem Int Ed Engl. 2021.
PMID: 34165885
Free PMC article.
Item in Clipboard
A Rather Universal Vibrational Resonance in 1:1 Hydrates of Carbonyl Compounds.
Fischer TL, Wagner T, Gottschalk HC, Nejad A, Suhm MA.
Fischer TL, et al.
J Phys Chem Lett. 2021 Jan 14;12(1):138-144. doi: 10.1021/acs.jpclett.0c03197. Epub 2020 Dec 14.
J Phys Chem Lett. 2021.
PMID: 33315407
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Pinacolone-Alcohol Gas-Phase Solvation Balances as Experimental Dispersion Benchmarks.
Zimmermann C, Fischer TL, Suhm MA.
Zimmermann C, et al. Among authors: fischer tl.
Molecules. 2020 Nov 3;25(21):5095. doi: 10.3390/molecules25215095.
Molecules. 2020.
PMID: 33153022
Free PMC article.
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