Статьи - Sciact

Статьи (82)

#	Публикация
1	Marchenko S.S. , Sokha S.J. , Demidov O.P. , Chernyshev A.V. , Metelitsa A.V. , Brig S.S. , Prolomov I.V. , Medvedev M.G. , Gulevskaya A.V. Azine-fused [6]carbohelicenes: synthesis, crystal structure, stereoisomerism and optical properties Organic & Biomolecular Chemistry. 2026. V.24. N23. P.4842-4851. DOI: 10.1039/d6ob00620e WOS Scopus OpenAlex
2	Ilin E.A. , Ilina V.V. , Ioffe I.N. , Medvedev M.G. , Goryunkov A.A. Machine Learning Prediction of Absorption and Emission: A Unified Approach for Metal–Organic and Organic Chromophores Journal of Physical Chemistry A. 2026. V.130. N24. P.4670-4682. DOI: 10.1021/acs.jpca.6c00682 WOS Scopus OpenAlex
3	Leonov A.V. , Epifanov E.Y. , Gerasimov I.S. , Losev T.V. , Medvedev M.G. The Potential Blind Spot of the τ-Dependent Exchange Density Functional Approximations Journal of Chemical Theory and Computation. 2026. V.22. N5. P.2261-2266. DOI: 10.1021/acs.jctc.5c01926 WOS Scopus OpenAlex
4	Eliseev E.A. , Velmiskina J.A. , Krivoshchapov N.V. , Malyshev V.I. , Medvedev M.G. Free Energy of a Solvent Molecule: Conventional Ideal Gas Approximation versus Experimental Thermodynamics Data Journal of Chemical Theory and Computation. 2026. V.22. N8. P.4094–4102. DOI: 10.1021/acs.jctc.6c00136 WOS Scopus OpenAlex
5	Yuriev D. , Tkachenko S. , Ermolin D. , Ivanov I. , Melnikov P. , Malinovskaya J. , Ryabova A. , Mishin A. , Perfilov M. , Ramil K. , Medvedev M. , Skorb E. , Oshchepkov M. , Gelperina S. , Oshchepkov A. Innovative design of fluorescent PLGA–1,8-naphthalimide nanoparticles as multifunctional materials for next-generation nanotechnology and biomedicine Journal of Materials Chemistry B. 2026. V.14. N18. P.5564-5582. DOI: 10.1039/d5tb02866c WOS Scopus OpenAlex
6	Schneider M.Y. , Zaripov D.U. , Dokin R.Y. , Ryabov A.A. , Losev T.V. , Medvedev M.G. Incorporating Scientific Knowledge into Neural Network Density Functionals Journal of Chemical Theory and Computation. 2026. V.22. N9. P.4405-4414. DOI: 10.1021/acs.jctc.6c00270 WOS Scopus OpenAlex
7	Mokrov G.V. , Litvinova S.A. , Biryukova V.E. , Voronina T.A. , Shorunov S.V. , Rebeko A.G. , Vorobyova T.Y. , Grushevskaya L.N. , Sergeeva M.S. , Kuznetsov D.N. , Kravtsova O.Y. , Nikitina E.A. , Gladysheva N.A. , Zhanataev A.K. , Durnev A.D. , Losev T.V. , Malashkeevich K.M. , Medvedev M.G. , Islamov M.M. , Lyssenko K.A. , Dorofeev V.L. E/Z Isomerism of the Potential Antiepileptic Drug GIZH-298 Molecules. 2026. V.31. N11. 1872 . DOI: 10.3390/molecules31111872 WOS Scopus OpenAlex
8	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
9	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
10	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
11	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
12	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
13	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
14	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
15	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
16	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
17	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
18	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
19	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
20	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

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