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Page 1
Computational NMR of carbohydrates: 1. Glucopyranoses.
Magn Reson Chem. 2023 Mar;61(3):162-168. doi: 10.1002/mrc.5320. Epub 2022 Nov 3.
Magn Reson Chem. 2023.
PMID: 36226671
Stereochemical dependence of substituent γ-effects in the 19 F NMR shielding constants.
Ukhanev SA, Fedorov SV, Krivdin LB.
Ukhanev SA, et al. Among authors: fedorov sv.
Magn Reson Chem. 2022 Sep;60(9):869-876. doi: 10.1002/mrc.5275. Epub 2022 Apr 25.
Magn Reson Chem. 2022.
PMID: 35468229
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Computational 19 F NMR of trifluoromethyl derivatives of alkenes, pyrimidines, and indenes.
Ukhanev SA, Fedorov SV, Krivdin LB.
Ukhanev SA, et al. Among authors: fedorov sv.
Magn Reson Chem. 2023 May;61(5):306-317. doi: 10.1002/mrc.5335. Epub 2023 Feb 11.
Magn Reson Chem. 2023.
PMID: 36740363
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Fluorine spin-spin coupling constants of pentafluorobenzene revisited at the ab initio correlated levels.
Ukhanev SA, Fedorov SV, Rusakov YY, Rusakova IL, Krivdin LB.
Ukhanev SA, et al. Among authors: fedorov sv.
Magn Reson Chem. 2022 Sep;60(9):901-914. doi: 10.1002/mrc.5276. Epub 2022 May 2.
Magn Reson Chem. 2022.
PMID: 35470458
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Calculation of 15N and 31P NMR Chemical Shifts of Azoles, Phospholes, and Phosphazoles: A Gateway to Higher Accuracy at Less Computational Cost.
Rusakov YY, Rusakova IL, Semenov VA, Samultsev DO, Fedorov SV, Krivdin LB.
Rusakov YY, et al. Among authors: fedorov sv.
J Phys Chem A. 2018 Aug 23;122(33):6746-6759. doi: 10.1021/acs.jpca.8b05161. Epub 2018 Aug 9.
J Phys Chem A. 2018.
PMID: 30044627
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Stereochemical Dependences of 31P-13C Spin-Spin Coupling Constants of Heterocyclic Phosphines.
Rusakov YY, Rusakova IL, Fedorov SV, Gray GA, Krivdin LB.
Rusakov YY, et al. Among authors: fedorov sv.
J Phys Chem A. 2019 Jul 25;123(29):6298-6303. doi: 10.1021/acs.jpca.9b05385. Epub 2019 Jul 11.
J Phys Chem A. 2019.
PMID: 31260305
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