Articles - Sciact

Articles (76)

#	Публикация
1	Belyakova Y.Y. , Radulov P.S. , Novikov R.A. , Prolomov I.V. , Krivoshchapov N.V. , Medvedev M.G. , Yaremenko I.A. , Alabugin I.V. , Terent’ev A.O. FeCl2-Mediated Rearrangement of Aminoperoxides into Functionalized Tetrahydrofurans: Dynamic Non-innocence of O-Ligands at an Fe Center Coordinates a Radical Cascade Journal of the American Chemical Society. 2025. V.147. N1. P.965–977. DOI: 10.1021/jacs.4c14062 WOS Scopus OpenAlex
2	Ilin E.A. , Frolov N.A. , Seferyan M.A. , Valeev A.B. , Vinokurov A.D. , Detusheva E.V. , Son E. , Medvedev M.G. , Vereshchagin A.N. Tackling the challenge of ML-assisted antibacterial activity prediction: One step closer to controlled quaternary ammonium compounds design via neural networks model Bioorganic Chemistry. 2025. V.167. 109175 . DOI: 10.1016/j.bioorg.2025.109175 WOS Scopus OpenAlex
3	Kruchinin A. , Bastrakov M. , Minyaev M. , Antropova O. , Chaliy V. , Medvedev M. , Starosotnikov A. Dearomative (3 + 2) and (4 + 2) Cycloadditions of [1,2,4]Triazolo[1,5- a ]pyridines: Rapid Access to Polycyclic Triazole-Fused Skeletons Journal of Organic Chemistry. 2025. V.90. N46. P.16546-16554. DOI: 10.1021/acs.joc.5c02157 WOS Scopus OpenAlex
4	Velmiskina J.A. , Malyshev V.I. , Gerasimov I.S. , Medvedev M.G. Least popular vibrational entropy model provides the best accuracy and robustness Journal of Chemical Physics. 2025. V.162. N12. 124115 . DOI: 10.1063/5.0255622 WOS Scopus OpenAlex
5	Leonov A.V. , Zaripov D.U. , Dokin R.Y. , Losev T.V. , Gerasimov I.S. , Medvedev M.G. The Source of Some Empirical Density Functionals van der Waals Forces Journal of Physical Chemistry A. 2025. V.11. P.2806–2811. DOI: 10.1021/acs.jpca.4c07586 WOS Scopus OpenAlex
6	Zilberg R.A. , Teres Y.B. , Bulysheva E.O. , Ivanov P.Y. , Vakulin I.V. , Panova M.V. , Medvedev M.G. , Khrizanforov M.N. , Maleev V.I. , Larionov V.A. A chiral Ni(II) complex immobilized on Carboblack C as a readily available and effective enantioselective voltammetric sensor for recognition of atenolol enantiomers in real samples Electrochimica Acta. 2025. V.529. 146309 . DOI: 10.1016/j.electacta.2025.146309 WOS Scopus OpenAlex
7	Kunitsyn A.Y. , Nekrasova N.A. , Krivoshchapov N.V. , Alexandrov E.V. , Pavlov A.A. , Medvedev M.G. Hamiltonian replica-exchange method α-REMD for ring spearing elimination in polymers Journal of Chemical Physics. 2025. V.162. N10. 104114 . DOI: 10.1063/5.0241538 WOS Scopus OpenAlex
8	Arsentev M.Y. , Sysoev E.I. , Vorobiev S.A. , Bashirov I.I. , Topalov E.V. , Sychov M.M. , Bekmansurov D.R. , Chaliy V.A. , Medvedev M.G. , Nosonovsky M. , Skorb E.V. Finding the Materials Harder than Diamond: Macroscale and Microscale Studies ACS Applied Materials & Interfaces. 2025. V.17. N22. P.33108–33120. DOI: 10.1021/acsami.5c04072 WOS Scopus OpenAlex
9	Bespalov I.A. , Krivoshchapov N.V. , Lisov A.A. , Chaliy V.A. , Medvedev M.G. Physics-Informed Bayesian Optimization for Conformational Ensemble Augmentation Journal of Chemical Information and Modeling. 2025. V.65. N12. P.6048–6056. DOI: 10.1021/acs.jcim.5c00522 WOS Scopus OpenAlex
10	Kulaev K. , Ryabov A. , Medvedev M.G. , Burnaev E. , Vanovskiy V. On the practical applicability of DM21 neural-network DFT functional for chemical calculations: Focus on geometry optimization Journal of Chemical Physics. 2025. V.163. N7. 074105 . DOI: 10.1063/5.0266500 WOS Scopus OpenAlex
11	Doronin M.M. , Klikushin A.S. , Mulina O.M. , Medvedev M.G. , Vil’ V.A. , He L-N. , Terent'ev A.O. α-Sulfonylated ketazine synthesis from vinyl azides and sodium sulfinates using CAN: radical C–S/N–N coupling cascade as a key reaction pathway Organic Chemistry Frontiers. 2025. V.12. N19. P.5271-5278. DOI: 10.1039/d5qo00508f WOS Scopus OpenAlex
12	Dyatlov A.L. , Filatova E.A. , Pozharskii A.F. , Marchenko S.S. , Demidov O.P. , Chernyshev A.V. , Metelitsa A.V. , Brig S.S. , Medvedev M.G. , Bekmansurov D.R. , Morozov P.G. , Gulevskaya A.V. 6-Aryl- and 6,7-diaryl-1,3-dimethyl-1H-perimidin-2(3H)-ones: synthesis, conformational stability, crystal structure and optical properties Organic & Biomolecular Chemistry. 2025. V.23. P.948-959. DOI: 10.1039/d4ob01680g WOS Scopus OpenAlex
13	Emelyanov M.A. , Bachinskiy A.V. , Derkach Y.V. , Chaliy V.A. , Smol'yakov A.F. , Medvedev M.G. , Titov A.A. , Maleev V.I. , Larionov V.A. Design of a chiral molecular pocket in a Ni(II) complex to improve stereoselectivity in the kinetic resolution of racemic epoxides with CO2 Tetrahedron Chem. 2024. V.12. 100115 . DOI: 10.1016/j.tchem.2024.100115 OpenAlex
14	Yaremenko I.A. , Fomenkov D.I. , Budekhin R.A. , Radulov P.S. , Medvedev M.G. , Krivoshchapov N.V. , He L-N. , Alabugin I.V. , Terent’ev A.O. Interrupted Dance of Five Heteroatoms: Reinventing Ozonolysis to Make Geminal Alkoxyhydroperoxides from C═N Bonds Journal of Organic Chemistry. 2024. V.89. N8. P.5699-5714. DOI: 10.1021/acs.joc.4c00233 WOS Scopus OpenAlex
15	Orlova A.V. , Malysheva N.N. , Panova M.V. , Podvalnyy N.M. , Medvedev M.G. , Kononov L.O. Comparison of glycosyl donors: a supramer approach Beilstein Journal of Organic Chemistry. 2024. V.20. P.181-192. DOI: 10.3762/bjoc.20.18 WOS Scopus OpenAlex
16	Alexeev M.S. , Strelkova T.V. , Ilyin M.M. , Nelyubina Y.V. , Bespalov I.A. , Medvedev M.G. , Khrustalev V.N. , Kuznetsov N.Y. New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines Organic & Biomolecular Chemistry. 2024. V.22. N23. P.4680-4696. DOI: 10.1039/d4ob00291a WOS Scopus OpenAlex
17	Egorov M.P. , Ananikov V.P. , Baskir E.G. , Boganov S.E. , Bogdan V.I. , Vereshchagin A.N. , Vil’ V.A. , Dalinger I.L. , Dilman A.D. , Eliseev O.L. , Zlotin S.G. , Knyazeva E.A. , Kogan V.M. , Kononov L.O. , Krayushkin M.M. , Krylov V.B. , Kustov L.M. , Levin V.V. , Lichitsky B.V. , Medvedev M.G. , Nifantiev N.E. , Rakitin O.A. , Sakharov A.M. , Svitanko I.V. , Smirnov G.A. , Stakheev A.Y. , Syroeshkin M.A. , Terent’ev A.O. , Tomilov Y.V. , Tretyakov E.V. , Trushkov I.V. , Fershtat L.L. , Chaliy V.A. , Shirinian V.Z. Current trends in organic chemistry: contribution of the N. D. Zelinsky Institute of Organic Chemistry of the Russian Academy of Sciences Russian Chemical Bulletin. 2024. V.73. N9. P.2423-2532. DOI: 10.1007/s11172-024-4366-8 WOS Scopus OpenAlex
18	Tyukina S.P. , Velmiskina J.A. , Dmitrienko A.O. , Medvedev M.G. Binomial Uncertainty in Molecular Dynamics-Based Reactions Analysis Journal of Physical Chemistry Letters. 2024. V.15. N7. P.2105-2110. DOI: 10.1021/acs.jpclett.3c03540 WOS Scopus OpenAlex
19	Zilberg R.A. , Teres J.B. , Bulysheva E.O. , Vakulin I.V. , Mukhametdinov G.R. , Khromova O.V. , Panova M.V. , Medvedev M.G. , Maleev V.I. , Larionov V.A. Chiral Octahedral Cobalt(III) Complex Immobilized on Carboblack C as a Novel Robust and Readily Available Enantioselective Voltammetric Sensor for the Recognition of Tryptophan Enantiomers in Real Samples Electrochimica Acta. 2024. V.492. 144334 . DOI: 10.1016/j.electacta.2024.144334 WOS Scopus OpenAlex
20	Krivoshchapov N.V. , Medvedev M.G. Accurate and Efficient Conformer Sampling of Cyclic Drug-Like Molecules with Inverse Kinematics Journal of Chemical Information and Modeling. 2024. V.64. N11. P.4542-4552. DOI: 10.1021/acs.jcim.3c02040 WOS Scopus OpenAlex

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