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From a humorous post to a detailed quantum-chemical study: isocyanate synthesis revisited.
Phys Chem Chem Phys. 2024 May 8;26(18):13850-13861. doi: 10.1039/d3cp04654k.
Phys Chem Chem Phys. 2024.
PMID: 38656824
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data Set.
Hölzer C, Gordiy I, Grimme S, Bursch M.
Hölzer C, et al. Among authors: gordiy i.
J Chem Inf Model. 2024 Feb 12;64(3):825-836. doi: 10.1021/acs.jcim.3c01832. Epub 2024 Jan 18.
J Chem Inf Model. 2024.
PMID: 38238264
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A 21st Century View of Allowed and Forbidden Electrocyclic Reactions.
Zhou Q, Kukier G, Gordiy I, Hoffmann R, Seeman JI, Houk KN.
Zhou Q, et al. Among authors: gordiy i.
J Org Chem. 2024 Jan 19;89(2):1018-1034. doi: 10.1021/acs.joc.3c02103. Epub 2023 Dec 28.
J Org Chem. 2024.
PMID: 38153322
Free PMC article.
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