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2024 | 3 |
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Page 1
A 21st Century View of Allowed and Forbidden Electrocyclic Reactions.
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.
From a humorous post to a detailed quantum-chemical study: isocyanate synthesis revisited.
Beletsan OB, Gordiy I, Lunkov SS, Kalinin MA, Alkhimova LE, Nosach EA, Ilin EA, Bespalov AV, Dallakyan OL, Chamkin AA, Prolomov IV, Zaripov RA, Pershin AA, Protsenko BO, Rusalev YV, Oganov RA, Kovaleva DK, Mironov VA, Dotsenko VV, Genaev AM, Sharapa DI, Tikhonov DS.
Beletsan OB, et al. Among authors: gordiy i.
Phys Chem Chem Phys. 2024 May 8;26(18):13850-13861. doi: 10.1039/d3cp04654k.
Phys Chem Chem Phys. 2024.
PMID: 38656824
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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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