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Опубликована статья: Belogolova E.F., Shlykov S.A., Eroshin A.V., Doronina E.P., Sidorkin V.F. The hierarchy of ab initio and DFT methods for describing an intramolecular non-covalent Si···N contact in the silicon compounds using electron diffraction geometries // Physical Chemistry Chemical Physics. – 2021. – V. 23. – Iss. 4. – P. 2762-2774. IF 3,676. Q1 (Q2) 28.01.2021. DOI: 10.1039/d0cp05872f

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Опубликована статья: Rusakov Y.Yu., Rusakova I.L. An efficient method for generating property-energy consistent basis sets. New pecJ-n (n = 1, 2) basis sets for high-quality calculations of indirect nuclear spin–spin coupling constants involving 1H, 13C, 15N, and 19F nuclei // Physical Chemistry Chemical Physics. – 2021. – V. 23. – Iss. 27. – P. 14925-14939. IF 3,676. Q1 (Q2) (БАЦКП). 21.07.2021. DOI: 10.1039/d1cp01984h

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Опубликована статья: Petrushenko I.K., Petrushenko K.B. Theoretical predictions of the spectroscopic properties of BODIPY dyes: effects of the fused aromatic and heteroaromatic rings at the b,g bonds // Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. – 2021. – V. 247. – P. 119125 (1-8). IF 4,098. Q1 (БАЦКП, AAAA-A16-116112510009-5). 15.02.2021. DOI: 10.1016/j.saa.2020.119125

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Опубликована статья: Gadomska A.V., Nevidimov A.V., Tovstun S.A., Petrova O.V., Sobenina L.N., Trofimov B.A., Razumov V.F. Fluorescence from 3,5-diphenyl-8-CF3-BODIPYs with amino substituents on the phenyl rings: quenching by aromatic molecules // Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. – 2021. – V. 254. – P. 119632 (1-10). IF 4,098. Q1 (РФФИ ГФЕН 19-53-53008). 05.06.2021. DOI: 10.1016/j.saa.2021.119632

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Опубликована статья: Lvov A.G., Mörtel M., Heinemann F.W., Khusniyarov M.M. One-way photoisomerization of ligands for permanent switching of metal complexes // Journal of Materials Chemistry C. – 2021. – V. 9. – Iss. 14. – P. 4757-4763. IF 7,393. Q1 05.04.2021. DOI: 10.1039/d1tc00761k

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Опубликована статья: Dempwolff A.L., Belogolova A.M., Trofimov A.B., Dreuw A. Intermediate state representation approach to physical properties of molecular electron-attached states: Theory, implementation, and benchmarking // Journal of Chemical Physics. – 2021. – V. 154. – Iss. 10. – P. 104117 (1-16). IF 3,488. Q1 (Q2) (РФФИ 19-33-90213, FZZE-2020-0025). 10.03.2021. DOI: 10.1063/5.0043337

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Опубликована статья: Duran A.T., Powis I., Holland D.M.P., Nicolas C., Bozek J., Trofimov A.B., Grigoricheva E.K., Skitnevskaya A.D. Vibronic interaction in trans-dichloroethene studied by vibration- and angle-resolved photoelectron spectroscopy using 19-90 eV photon energy // Journal of Chemical Physics. – 2021. – V. 154. – Iss. 9. – P. 094303 (1-19). IF 3,488. Q1 (Q2) (FZZE-2020-0025). 07.03.2021. DOI: 10.1063/5.0040049

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Опубликована статья: Perfileva A.I., Nozhkina O.A., Ganenko T.V., Graskova I.A., Sukhov B.G., Artem’ev A.V., Trofimov B.A., Krutovsky K.V. Selenium nanocomposites in natural matrices as potato recovery agent // International Journal of Molecular Sciences. – 2021. – V. 22. – Iss. 9. – P. 4576 (1-13). IF 5,923. Q1 (Q2) 27.04.2021. DOI: 10.3390/ijms22094576