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On the vibrations of formic acid predicted from first principles.
Phys Chem Chem Phys. 2022 Nov 30;24(46):28109-28120. doi: 10.1039/d2cp04417j.
Phys Chem Chem Phys. 2022.
PMID: 36385362
Free PMC article.
Review.
Excited-State DMRG Made Simple with FEAST.
Baiardi A, Kelemen AK, Reiher M.
Baiardi A, et al. Among authors: kelemen ak.
J Chem Theory Comput. 2022 Jan 11;18(1):415-430. doi: 10.1021/acs.jctc.1c00984. Epub 2021 Dec 16.
J Chem Theory Comput. 2022.
PMID: 34914392
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