Публикации лаборатории Прикладная расчетная химия для дизайна функциональных материалов

Degradation kinetic study of ZIF-8 microcrystals with and without the presence of lactic acid
RSC Adv., 2021
, Иконникова Е., Шаршеева А.,, Кучур О.А., Ivan S. Mukhin, Evamarie Hey-Hawkins, Виноградов А.В., Морозов М.И. 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, Куляев П. О., 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
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, Елена Андрусенко,, Vitalii V. Suslonov, Konstantin V. Luzyanin Подробнее
Intermetallic Species in the Negishi Coupling and Their Involvement in Inhibition Pathways
Catalysis Science & Technology 2019
Mikhail Polynski,  Подробнее
Towards operando computational modeling in heterogeneous catalysis
Chem. Soc. Rev., 2018
Lukáš Grajciar, Christopher J. Heard, Anton A. Bondarenko, Mikhail V. Polynski, Jittima Meeprasert,, Petr Nachtigall Подробнее
Efficient extraction of multivalent cations from aqueous solutions into sitinakite-based sorbents
Chemical Engineering Journal 2018
Перовский И.А., Храменкова Е.В.,, Кривошапкин П.В., Виноградов А.В., Кривошапкина Е.Ф. Подробнее
Catalytic (de)hydrogenation promoted by non-precious metals - Co, Fe and Mn: recent advances in an emerging field
Chem. Soc. Rev. 2018
Georgy A. Filonenko, Robbert van Putten, Emiel J. M. Hensen, Подробнее