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2020 | 2 |
2021 | 2 |
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Page 1
NMR detection of the strained metallacycles in organolithiums: theoretical study.
Org Biomol Chem. 2024 Jan 31;22(5):982-989. doi: 10.1039/d3ob01916k.
Org Biomol Chem. 2024.
PMID: 38180388
Choice of computational protocol for carbon-lithium spin-spin coupling constants 1 JCLi.
Karpov VV, Antonov AS, Tupikina EY.
Karpov VV, et al.
Magn Reson Chem. 2022 Oct;60(10):985-995. doi: 10.1002/mrc.5299. Epub 2022 Aug 4.
Magn Reson Chem. 2022.
PMID: 35881390
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Sterically Facilitated Intramolecular Nucleophilic NMe2 Group Substitution in the Synthesis of Fused Isoxazoles: Theoretical Study.
Antonov AS, Tupikina EY, Karpov VV, Mulloyarova VV, Bardakov VG.
Antonov AS, et al. Among authors: karpov vv.
Molecules. 2020 Dec 17;25(24):5977. doi: 10.3390/molecules25245977.
Molecules. 2020.
PMID: 33348591
Free PMC article.
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On the influence of water molecules on the outer electronic shells of R-SeH, R-Se(-) and R-SeOH fragments in the selenocysteine amino acid residue.
Tupikina EY, Karpov VV, Tolstoy PM.
Tupikina EY, et al. Among authors: karpov vv.
Phys Chem Chem Phys. 2021 Jun 30;23(25):13965-13970. doi: 10.1039/d1cp01345a.
Phys Chem Chem Phys. 2021.
PMID: 34143160
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Stretching force constants as descriptors of energy and geometry of F···HF hydrogen bonds.
Tupikina EY, Tokhadze KG, Karpov VV, Denisov GS, Tolstoy PM.
Tupikina EY, et al. Among authors: karpov vv.
Spectrochim Acta A Mol Biomol Spectrosc. 2020 Nov 5;241:118677. doi: 10.1016/j.saa.2020.118677. Epub 2020 Jul 3.
Spectrochim Acta A Mol Biomol Spectrosc. 2020.
PMID: 32652286
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Hydration of selenolate moiety: Ab initio investigation of properties of O-H⋯Se(-) hydrogen bonds in CH3 Se(-)⋯(H2 O)n clusters.
Karpov VV, Puzyk AM, Tolstoy PM, Tupikina EY.
Karpov VV, et al.
J Comput Chem. 2021 Oct 30;42(28):2014-2023. doi: 10.1002/jcc.26733. Epub 2021 Aug 20.
J Comput Chem. 2021.
PMID: 34415084
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