Normatov S., Nesterov P., Aliev T., Timralieva A.A., Novikov A.S., Skorb E.V. Search for Correlations Between the Results of the Density Functional Theory and Hartree–Fock Calculations Using Neural Networks and Classical Machine Learning Algorithms. ACS Omega. 2025. Vol. 10. No. 6. pp. 5919–5933.
Antonova M.M., Karshieva S.S., Nikitin A.A., Malinovskaya Y.A., Ermolin D.V., Novikov A.S., Skorb E., Beigulenko D.V., Kovshova T.S., Kalacheva E.A., Filin A.A., Gelperina S.E., Ermolenko Y.V. Colloidal formulations of etoposide based on self-assembling oleyl-hyaluronan-based structures: Optimization of technology and in vitro analysis. Nano-Structures and Nano-Objects. 2025. Vol. 41. pp. 101443.
Тимофеева М.В., Кенжебаева Ю.А., Алексеевский П.В., Ефимова А.С., Абрамов А.Н., Шипиловских С.А., Новиков А.С., Миличко В.А., Потапов А.С., Дячук В.А., Бурзак Н.А. Topological Design of Pyrene?Based Metal?Organic Framework Nanosheets as a Luminescent Thermometer for Live Bioimaging. Advanced Functional Materials. 2025. pp. 2425904.
Timralieva A.A., Chumakova N., Fionov A.V., Konstantinova E.A., Zaripov R.B., Demekhin M.A., Radchenko M.E., Novikov A.S., Travin S.O., Kokorin A.I., Skorb E.V. Barbituric acid derivative supramolecular assembly as a matrix for oxygen-sensitive photodriven formation of superoxide and carbon-centered radicals. Chemical Physics Letters. 2025. Vol. 868. pp. 141957.
Муравьев А.А., Chetinel I., Botnar A.A., Novikov A.S., Muraveva E.A., Ireddy A.T., Zun P.S., Соловьева С.Е., Антипин И., Skorb E.V. Control of Self-Organization of Thiacalix[4]Crown-Ethers in Cone and 1,3-Alternate Forms in Nanofilms on Quartz Substrate. Colloid Journal. 2025. Vol. 87. pp. 236-245.
Kornilov D.A., Novikov A.S., Nagrimanov R.N., Mustafin A.G. Modification of the High-Pressure Cell in the Hildebrand’s Device to Determine the Thermal Pressure Coefficients of Liquids: Search for Correlations between Thermal Pressure Coefficients and Various Physicochemical Parameters. Journal of Chemical and Engineering Data. 2025. Vol. 70. No. 3. pp. 1208–1214.
Karalash S.A., Botnar A.A., Aglikov A.S., Muraveva E.A., Kozodaev D.A., Novikov A.S., Skorb E.V., Muravev A.A. AFM and DFT study of diverse self-organization pattern of aminothiacalix[4]arene. Journal of Inclusion Phenomena and Macrocyclic Chemistry. 2025. Vol. 105. No. 3-4. pp. 133–140.
Timofeeva M., Kenzhebayeva Y., Burzak N., Bazhenova A., Lunev A., Novikov A.S., Bondarenko A.B., Shipilovskikh S.A., Dyachuk V.A., Milichko V.A. A light-driven ultrafast sensor based on biocompatible solvatochromic metal-organic framework. Materials Horizons. 2025. pp. in press.
Ghorabe F.D., Aglikov A., Novikov A.S., Nosonovsky M., Ryltseva G., Dudaev A., Menzianova N., Skorb E.V., Shishatskaya E.I. Topography hierarchy of biocompatible polyhydroxyalkanoate film. RSC Advances. 2024. Vol. 14. No. 27. pp. 19603-19611.
Practice-Oriented Introduction to Machine Learning : Linear Regression, Decision Tree, and Single Layer Perceptron models
Ghorabe F.D., Novikov A.S., Nesterov P., Ryltseva G.A., Dudaev A.E., Shishatskaya E.I., Skorb E.V. Insight on relationship between crystallinity and band gap energies of polyhydroxyalkanoates polymers. Materials Today Communications. 2024. Vol. 39. pp. 108886.
Botnar A.A., Novikov O.P., Korepanov O.A., Muraveva E.A., Kozodaev D.A., Novikov A.S., Nosonovsky M., Skorb E.V., Muravev A.A. Crystallization Control of Anionic Thiacalixarenes on Silicon Surface Coated with Cationic Poly(ethyleneimine). Langmuir. 2024. Vol. 40. No. 46. pp. 24634-24643.
Klyukin I.N., Kolbunova A.V., Novikov A.S., Zhizhin K.Y., Kuznetsov N.T. Theoretical investigation of CB5H6(Hfac) and CB5H5(H2) carboranes: combined MO and QTAIM analysis. Computational and Theoretical Chemistry. 2024. Vol. 1231. pp. 114434.
Применение программных пакетов Avogadro, ORCA, Putty, WinSCP и CREST для выполнения квантово-химических расчётов
Novikov A.S. Symmetry in Quantum and Computational Chemistry: Volume 2. Symmetry. 2023. Vol. 15. No. 8. pp. 1472.
Aglikov A., Volkova O., Bondar A., Moskalenko I., Novikov A., Skorb E.V., Smirnov E. Memristive Effect in Ti3C2Tx (MXene) Polyelectrolyte Multilayers. ChemPhysChem. 2023. Vol. 24. No. 17. pp. e202300187.
Aliev T., Belyaev V.E., Pomytkina A.V., Nesterov P., Shityakov S., Sadovnichii R., Novikov A.S., Orlova O.Y., Masalovich M.S., Skorb E.V. Electrochemical Sensor to Detect Antibiotics in Milk Based on Machine Learning Algorithms. ACS Applied Materials and Interfaces. 2023. Vol. 15. No. 44. pp. 52010-52020.
Moskalenko I.V., Shilovskikh V., Nesterov P., Novikov A.S., Omarova M., Sadovnichii R., Gurzhiy V.V., Orekhov N., Skorb E.V. Supramolecular Assemblies of Melamine-2-Thiobarbiturate and Melamine-Barbiturate-2-Thiobarbiturate: Experimental and Theoretical Studies. Crystals. 2023. Vol. 13. No. 9. pp. 1320.
Memristive effect in Ti3C2Tx (MXene) – polyelectrolyte multilayers
Tamer T.M., Eltantawy M.M., Brussevich A., Nebalueva A., Novikov A., Moskalenko I.V., Abu-Serie M.M., Hassan M., Ulasevich S., Skorb E.V. Functionalization of chitosan with poly aromatic hydroxyl molecules for improving its antibacterial and antioxidant properties: Practical and theoretical studies. International Journal of Biological Macromolecules. 2023. Vol. 234. pp. 123687.
Zhestkij N.A., Efimova A.S., Kenzhebayeva Y., Dmitriev M.V., Novikov A.S., Yushina I.D., Krylov A., Timofeeva M.V., Kulakova A.N., Glebova N.V., Krasilin A.A., Shipilovskikh S.A., Milichko V.A. Nonlinear Metal-Organic Framework Crystals for Efficient Multicolor Coherent Optical Emission. Advanced Optical Materials. 2023. Vol. 11. No. 22. pp. 2300881.
Novikov A.S. Non-Covalent Interactions in Polymers. Polymers. 2023. Vol. 15. No. 5. pp. 1139.
Timralieva A.A., Moskalenko I.V., Nesterov P., Shilovskikh V.V., Novikov A.S., Konstantinova E.A., Kokorin A.I., Skorb E.V. Melamine Barbiturate as a Light-Induced Nanostructured Supramolecular Material for a Bioinspired Oxygen and Organic Radical Trap and Stabilization. ACS Omega. 2023. Vol. 8. No. 9. pp. 8276–8284.
Klyukin I.N., Kolbunova A.V., Novikov A.S., Zhdanov A.P., Zhizhin K.Y., Kuznetsov N.T. Theoretical Insight on the Formation Mechanism of a Trisubstituted Derivative of Closo-Decaborate Anion [B10H7O2CCH3(NCCH3)]0. Inorganics. 2023. Vol. 11. No. 5. pp. 201.
Savintseva L., Avdoshin A., Ignatov S., Novikov A.S. Theoretical Study of Charge Mobility in Crystal Porphine and a Computer Design of a Porphine-Based Semiconductive Discotic Liquid Mesophase. International Journal of Molecular Sciences. 2023. Vol. 24. No. 1. pp. 736.
Novikov A.S. Non-Covalent Catalysts. Catalysts. 2023. Vol. 13. No. 2. pp. 339.
Moskalenko I., Borodin L.I., Novikov A.S. Oxidation of Methyl Linoleate in Triton X-100 Micelles Initiated by Lipid-soluble Initiator 2,2?-Azobis (2,4-dimethylvaleronitrile). ChemistrySelect. 2023. Vol. 8. No. 25. pp. e202301357.
Nebalueva A.S., Timralieva A.A., Sadovnichii R., Novikov A.S., Zhukov M.V., Aglikov A.S., Muravev A.A., Sviridova T.V., Boyarskiy V.P., Kholkin A.L., Skorb E.V. Piezo-Responsive Hydrogen-Bonded Frameworks Based on Vanillin-Barbiturate Conjugates. Molecules. 2022. Vol. 27. No. 17. pp. 5659.
Novikov A.S. Theoretical Investigation on Non-Covalent Interactions. Crystals. 2022. Vol. 12. No. 2. pp. 167.
Novikov A.S. Plethora of Non-Covalent Interactions in Coordination and Organometallic Chemistry Are Modern Smart Tool for Materials Science, Catalysis, and Drugs Design. International Journal of Molecular Sciences. 2022. Vol. 23. No. 23. pp. 14767.
Lorits E.M., Gubar E.A., Novikov A.S. Design of the Algorithm for Packaging of Water Molecules in a Fixed Volume. Symmetry. 2022. Vol. 14. No. 11. pp. 2453.
Masalovich M., Aliev T., Beliaev V.E., Pomytkina A.V., Nesterov P., Shityakov S., Sadovnichii R., Novikov A., Orlova O., Skorb E. The development of an electrochemical sensor for antibiotics in milk based on machine learning algorithms. arXiv.org [база препринтов]. 2022. Vol. arXiv:2212.04422. No. 0. pp. 1-38.
Novikov A.S. Theoretical Studies and Computer Modeling of Supramolecular Chemical Systems: Structure, Properties and Reactivity. Chemistry Proceedings. 2022. Vol. 12. No. 1. pp. 88.
Novikov A.S., Bolotin D.S. Halonium, chalconium, and pnictonium salts as noncovalent organocatalysts: a computational study on relative catalytic activity. Organic and Biomolecular Chemistry. 2022. Vol. 20. No. 38. pp. 7632–7639.
Malyshkina M.V., Novikov A.S. Modern Software for Computer Modeling in Quantum Chemistry and Molecular Dynamics. Compounds. 2021. Vol. 1. No. 3. pp. 134–144.
Thermoresponible macromolecular nanostructures with dynamic properties based on Si nanoparticles
Ivanov A.S., Nikolaev K.G., Novikov A.S., Yurchenko S.O., Novoselov K.S., Andreeva D.V., Skorb E.V. Programmable Soft-Matter Electronics. Journal of Physical Chemistry Letters. 2021. Vol. 12. No. 7. pp. 2017-2022.
Nikitina A.A., Milichko V.A., Novikov A.S., Larin A.O., Nandy P., Mirsaidov U., Andreeva D.V., Rybin M.V., Kivshar Y.S., Skorb E.V. All-Dielectric Nanostructures with a Thermoresponsible Dynamic Polymer Shell. Angewandte Chemie - International Edition. 2021. Vol. 60. No. 23. pp. 12737-12741.
Nesterov P.V., Shilovskikh V.V., Sokolov A., Gurzhiy V.V., Novikov A.S., Timralieva A.A., Belogub E.V., Kondratyuk N., Orekhov N., Skorb E.V. Encapsulation of Rhodamine 6G Dye Molecules for Affecting Symmetry of Supramolecular Crystals of Melamine-Barbiturate. Symmetry. 2021. Vol. 13. No. 7. pp. 1119.
Imoro N., Shilovskikh V., Nesterov P., Timralieva A.A., Gets D.S., Nebalueva A.S., Lavrentev F., Novikov A.S., Kondratyuk N.D., Orekhov N.D., Skorb E.V. Biocompatible pH-Degradable Functional Capsules Based on Melamine Cyanurate Self-Assembly. ACS Omega. 2021. Vol. 6. No. 27. pp. 17267–17275.
Novikov A.S. IsoStar Program Suite for Studies of Noncovalent Interactions in Crystals of Chemical Compounds. Crystals. 2021. Vol. 11. No. 2. pp. 162.
Novikov A.S. Symmetry in quantum and computational chemistry. Symmetry. 2020. Vol. 12. No. 12. pp. 2028.
Skorb E.V., Shilovskikh V.V., Timralieva A.A., Nesterov P.V., Novikov A.S., Sitnikov P.A., Konstantinova E.A., Kokorin A.I. Melamine-barbiturate supramolecular assembly as a pH-dependent organic radical trap material. Chemistry - A European Journal. 2020. Vol. 26. No. 70. pp. 16603-16610.
Novikov A.S. Computational Insights into Industrial Chemistry. Computation. 2020. Vol. 8. No. 4. pp. 97.