Articles - Sciact

Articles (140)

#	Публикация
21	Solovyev A.I. , Mikheylis A.V. , Plyusnin V.F. , Shubin A.A. , Grivin V.P. , Larionov S.V. , Tkachenko N.V. , Lemmetyinen H. Photochemistry of Dithiophosphinate Ni(S2P(i-Bu)2)2 Complex in CCl4. Transient Species and TD-DFT Calculations Journal of Photochemistry and Photobiology A: Chemistry. 2019. V.381. 111857 :1-11. DOI: 10.1016/j.jphotochem.2019.111857 WOS Scopus РИНЦ AN OpenAlex
22	Keturakis C. , Lapina O.B. , Shubin A.A. , Terskikh V.V. , Papulovskiy E.S. , Yudaev I.V. , Paukshtis E.A. , Wachs I.E. Pyrolysis of the Cellulose Fraction of Biomass in Presence of Solid Acid Catalysts: An Operando Spectroscopy and Theoretical Investigation ChemSusChem. 2018. V.11. N23. P.4044-4059. DOI: 10.1002/cssc.201802073 WOS Scopus РИНЦ AN PMID OpenAlex
23	Lapina O.B. , Shubin A.A. , Terskikh V.V. Solid-State NMR of Oxide-Based Materials In compilation Modern Magnetic Resonance. – Springer International Publishing AG, part of Springer Nature., 2018. – C.1125-1160. – ISBN 9783319283876; 9783319283883. DOI: 10.1007/978-3-319-28388-3_105 Scopus РИНЦ OpenAlex
24	Chikunov A.S. , Taran O.P. , Shubin A.A. , Zil’berberg I.L. , Parmon V.N. Oxidation of Water to Molecular Oxygen by One-Electron Oxidants on Transition Metal Hydroxides Kinetics and Catalysis. 2018. V.59. N1. P.23-47. DOI: 10.1134/S0023158418010032 WOS Scopus РИНЦ AN OpenAlex
25	Kokorin A.I. , Mladenova-Kattnig B.Y. , Gromov O.I. , Shubin A.A. , Zaripov R.B. , Grampp G. Influence of Polarity and Ionic Strength on Intramolecular Spin Exchange in a Short Nitroxide Biradical, Containing Sulphur Atom in the Bridge Applied Magnetic Resonance. 2018. V.49. N10. P.1059-1073. DOI: 10.1007/s00723-018-1041-y WOS Scopus РИНЦ AN OpenAlex
26	Shubin A. , Zilberberg I. , Ismagilov I. , Matus E. , Kerzhentsev M. , Ismagilov Z. Hydrogen Abstraction from Methane on Cristobalite Supported W and Mn oxo Complexes: A DFT Study Molecular Catalysis. 2018. V.445. P.307-315. DOI: 10.1016/j.mcat.2017.11.039 WOS Scopus РИНЦ ANCAN OpenAlex
27	Чикунов А.С. , Таран О.П. , Шубин А.А. , Зильберберг И.Л. , Пармон В.Н. Окисление воды до молекулярного кислорода одноэлектронными окислителями на гидроксидах переходных металлов Кинетика и катализ. 2018. Т.59. №1. С.29-56. DOI: 10.7868/S0453881118010057 РИНЦ OpenAlex
28	Khabibulin D.F. , Papulovskiy E. , Andreev A.S. , Shubin A.А. , Volodin A.M. , Zenkovets G.A. , Yatsenko D.A. , Tsybulya S.V. , Lapina O.B. Surface Hydroxyl OH Defects of η-Al2O3 and χ-Al2O3 by Solid State NMR, XRD, and DFT Calculations Zeitschrift fur Physikalische Chemie-International Journal of Research in Physical Chemistry and Chemical Physics. 2017. V.231. N4. P.809-825. DOI: 10.1515/zpch-2016-0822 WOS Scopus РИНЦ ANCAN OpenAlex
29	Kovalskii V. , Shubin A. , Chen Y. , Ovchinnikov D. , Ruzankin S.P. , Hasegawa J. , Zilberberg I. , Parmon V.N. Hidden Radical Reactivity of the [FeO]2+ Group in the H-Abstraction from Methane: DFT and CASPT2 Supported Mechanism by the Example of Model Iron (Hydro)oxide Species Chemical Physics Letters. 2017. V.679. P.193-199. DOI: 10.1016/j.cplett.2017.05.002 WOS Scopus РИНЦ ANCAN OpenAlex
30	Ruzankin S.P. , Shubin A.A. , Kovalʹskii V.Y. , Zil'berberg I.L. Analysis of Spin-Polarized Solutions in the Basis Set of Paired Orbitals Journal of Structural Chemistry. 2016. V.57. N5. P.997-1014. DOI: 10.1134/S0022476616050218 WOS Scopus РИНЦ ANCAN OpenAlex
31	Solovyev A.I. , Plyusnin V.F. , Shubin A.A. , Grivin V.P. , Larionov S.V. Photochemistry of Dithiocarbamate Cu(S2CNEt2)2 Complex in CHCl3. Transient Species and TD-DFT Calculations The Journal of Physical Chemistry A. 2016. V.120. N40. P.7873-7880. DOI: 10.1021/acs.jpca.6b08738 WOS Scopus РИНЦ ANCAN PMID OpenAlex
32	Рузанкин С.Ф. , Шубин А.А. , Ковальский В.Ю. , Зильберберг И.Л. Анализ спин-поляризованных решений в базисе парных орбиталей Журнал структурной химии. 2016. Т.57. №5. С.1047-1065. DOI: 10.15372/JSC20160521RSCI РИНЦ OpenAlex
33	Koshevoy E.I. , Mikenas T.B. , Zakharov V.A. , Shubin A.A. , Barabanov A.A. Electron Paramagnetic Resonance Study of the Interaction of Surface Titanium Species with AlR3 Cocatalyst in Supported Ziegler−Natta Catalysts with a Low Titanium Content The Journal of Physical Chemistry C. 2016. V.120. N2. P.1121-1129. DOI: 10.1021/acs.jpcc.5b11286 WOS Scopus РИНЦ ANCAN OpenAlex
34	Shubin A.A. , Terskikh V.V. , Papulovskiy E. , Lapina O.B. Random Distribution of EFG Parameters in 27Al MAS NMR Spectra of AlOx/SiO2 Catalysts and Related Systems Applied Magnetic Resonance. 2016. V.47. N11. P.1193-1205. DOI: 10.1007/s00723-016-0837-x WOS Scopus РИНЦ ANCAN OpenAlex
35	Папуловский Е.С. , Шубин А.А. , Лапина О.Б. Теоретическое моделирование структуры поверхностных ниобиевых центров на основе данных твердотельной ЯМР спектроскопии ядра 93Nb Вестник Новосибирского государственного университета. Серия: Физика. 2016. Т.11. №2. С.77-92. РИНЦ OpenAlex
36	Lapina O.B. , Shubin A.A. , Terskikh V.V. Solid-State NMR of Oxide-Based Materials Monography chapter Modern Magnetic Resonance. – Springer International Publishing., 2016. – C.1-37. – ISBN 9783319282756. DOI: 10.1007/978-3-319-28275-6_105-1 OpenAlex
37	Zilberberg I.L. , Shubin A.A. , Ruzankin S.P. , Kovalskii V.Y. , Ovchinnikov D.A. , Parmon V.N. DFT Predictions for Hydrogen Atom Transfer at the [FeO]2+ Group: A Distinct Activity of the Oxyl State FeIII-O• In compilation Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2016 (ICCMSE-2016). 2016. – ISBN 978-0-7354-1454-9. DOI: 10.1063/1.4968653 WOS Scopus РИНЦ AN OpenAlex
38	Papulovskiy E.S. , Shubin A.A. , Lapina O.B. First Principles Calculation of the Stacking Fault in (111) Low-Temperature Metastable Alumina Journal of Structural Chemistry. 2016. V.57. N2. P.294-300. DOI: 10.1134/S0022476616020086 WOS Scopus РИНЦ ANCAN OpenAlex
39	Папуловский Е.С. , Шубин А.А. , Лапина О.Б. Расчет стыковки нанокристаллических блоков по грани (111) в низкотемпературных метастабильных оксидах алюминия Журнал структурной химии. 2016. Т.57. №2. С.311-317. DOI: 10.15372/JSC20160208RSCI РИНЦ OpenAlex
40	Shubin A.A. , Ruzankin S.P. , Zilberberg I.L. , Taran O.P. , Parmon V.N. The Routes of Association of (Hydro)oxo centers on Iron Hydroxide at the Water Oxidation Process: DFT Predictions Chemical Physics Letters. 2015. V.619. P.126-132. DOI: 10.1016/j.cplett.2014.11.061 WOS Scopus РИНЦ ANCAN OpenAlex

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