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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.
Setting up the HyDRA blind challenge for the microhydration of organic molecules.
Fischer TL, Bödecker M, Zehnacker-Rentien A, Mata RA, Suhm MA.
Fischer TL, et al. Among authors: bodecker m.
Phys Chem Chem Phys. 2022 May 18;24(19):11442-11454. doi: 10.1039/d2cp01119k.
Phys Chem Chem Phys. 2022.
PMID: 35522931
Review.
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