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Papers lab Computational modeling for the design of functional materials
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Degradation kinetic study of ZIF-8 microcrystals with and without the presence of lactic acid
RSC Adv., 2021
Butonova S.
,
Ikonnikova E.
,
Sharsheeva A.
,,
Kuchur О.А.
, Ivan S. Mukhin, Evamarie Hey-Hawkins,
Vinogradov A.V.
,
Morozov M.I.
Подробнее
Towards Understanding Afghanistan Pea Symbiotic Phenotype Through the Molecular Modeling of the Interaction Between LykX-Sym10 Receptor Heterodimer and Nod Factors
Frontiers in Plant Science 2021
Yaroslav V. Solovev, Anna A. Igolkina,
Kulyaev P.O.
, Anton S. Sulima, Vladimir A. Zhukov, Yuri B. Porozov,, Evgeny E. Andronov
Подробнее
Robust and efficient hydrogenation of carbonyl compounds catalysed by mixed donor Mn(I) pincer complexes
Nature Communications 2021
Wenjun Yang, , Robin K. A. van Schendel, Manuela Weber, Christian Müller, Georgy A. Filonenko,
Подробнее
The accuracy challenge of the DFT-based molecular assignment of 13C MAS NMR characterization of surface intermediates in zeolite catalysis
Phys. Chem. Chem. Phys. 2020
Alexander A. Kolganov, Anton A. Gabrienko,, Alexander G. Stepanov,
Подробнее
Tuning of Molecular Electrostatic Potential Enables Efficient Charge Transport in Crystalline Azaacenes: A Computational Study
International Journal of Molecular Sciences 2020
Andrey Sosorev, Dmitry Dominskiy,, Roman Efremov
Подробнее
Electrodeposited Organic–Inorganic Nanohybrid as Robust Bifunctional Electrocatalyst for Water Splitting
Inorg. Chem. 2020
Rohit G. Jadhav, Devraj Singh,
Krivoshapkin P.V.
, Apurba K. Das
Подробнее
Phosphorescent Iridium(III) Complexes with Acyclic Diaminocarbene Ligands as Chemosensors for Mercury
Inorg. Chem. 2020
Anzhelika A. Eremina, Mikhail A. Kinzhalov, Evgenе A. Katlenok, Andrey S. Smirnov,
Elena Andrusenko
,, Vitalii V. Suslonov, Konstantin V. Luzyanin
Подробнее
Operando modeling of multicomponent reactive solutions in homogeneous catalysis: from non‐standard free energies to reaction network control
ChemCatChem 2019
Kulyaev P.O.
,
Подробнее
Intermetallic Species in the Negishi Coupling and Their Involvement in Inhibition Pathways
Catalysis Science & Technology 2019
Mikhail Polynski,
Подробнее
Inkjet printing of high refractive structures based on TiO2 sol
Scientific and Technical Journal of Information Technologies, Mechanics and Optics 2016
Eremeeva E.A.
, ,
Vinogradov A.V.
, Yakovlev A.V.
Подробнее