Effect of DFT Methods and Dispersion Correction Models in ONIOM Methodology on the Activation Energy of Butadiene Polymerization on a Neodymium‐Based Ziegler–Natta Catalyst
Masliy, Alexey N., Akhmetov, Ildar G., Kuznetsov, Andrey M., Davletbaeva, Ilsiya M.
Published in International journal of quantum chemistry (15.08.2024)
Published in International journal of quantum chemistry (15.08.2024)
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Journal Article
DFT and ONIOM Simulation of 1,3-Butadiene Polymerization Catalyzed by Neodymium-Based Ziegler-Natta System
Masliy, Alexey N, Akhmetov, Ildar G, Kuznetsov, Andrey M, Davletbaeva, Ilsiya M
Published in Polymers (25.02.2023)
Published in Polymers (25.02.2023)
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Journal Article
The role of water molecular structuring in the formation of the inclusion compounds based on cucurbit[8]uril and trans-[Co(en)2Cl2]+, trans-[Ru(en)2Cl2]+ complexes: a DFT examination
Grishaeva, Tatiana N., Masliy, Alexey N., Kuznetsov, Andrey M.
Published in Journal of inclusion phenomena and macrocyclic chemistry (01.08.2022)
Published in Journal of inclusion phenomena and macrocyclic chemistry (01.08.2022)
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Journal Article
Rational design of efficient nanosensor for glyphosate and temperature out of terbium complexes with 1,3-diketone calix[4]arenes
Zairov, Rustem R., Dovzhenko, Alexey P., Podyachev, Sergey N., Sudakova, Svetlana N., Masliy, Alexey N., Syakaev, Viktor V., Gimazetdinova, Gulnaz Sh, Nizameev, Irek R., Lapaev, Dmitry V., Budnikova, Yulia H., Kuznetsov, Andrey M., Sinyashin, Oleg G., Mustafina, Asiya R.
Published in Sensors and actuators. B, Chemical (01.01.2022)
Published in Sensors and actuators. B, Chemical (01.01.2022)
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Journal Article
Role of PSS-based assemblies in stabilization of Eu and Sm luminescent complexes and their thermoresponsive luminescence
Zairov, Rustem R., Dovzhenko, Alexey P., Podyachev, Sergey N., Sudakova, Svetlana N., Kornev, Timur A., Shvedova, Anastasiya E., Masliy, Alexey N., Syakaev, Victor V., Alekseev, Ivan S., Vatsouro, Ivan M., Mambetova, Gulnaz Sh, Lapaev, Dmitry V., Nizameev, Irek R., Enrichi, Francesco, Kuznetsov, Andrey M., Kovalev, Vladimir V., Mustafina, Asiya R.
Published in Colloids and surfaces, B, Biointerfaces (01.09.2022)
Published in Colloids and surfaces, B, Biointerfaces (01.09.2022)
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Journal Article
A simple synthetic approach to enhance the thermal luminescence sensitivity of Tb3+ complexes with thiacalix[4]arene derivatives through upper-rim bromination
Podyachev, Sergey N, Sudakova, Svetlana N, Nagimov, Rinas N, Masliy, Alexey N, Syakaev, Victor V, Lapaev, Dmitry V, Buzyurova, Daina N, Babaev, Vasily M, Gulnaz Sh Gimazetdinova, Kuznetsov, Andrey M, Mustafina, Asiya R
Published in Dalton transactions : an international journal of inorganic chemistry (28.06.2020)
Published in Dalton transactions : an international journal of inorganic chemistry (28.06.2020)
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Journal Article
Modulating the Inclusive and Coordinating Ability of Thiacalix[4]arene and Its Antenna Effect on Yb3-Luminescence via Upper-Rim Substitution
Podyachev, Sergey N., Sudakova, Svetlana N., Zairov, Rustem R., Syakaev, Victor V., Masliy, Alexey N., Dusek, Michal, Gubaidullin, Aidar T., Dovzhenko, Alexey P., Buzyurova, Daina N., Lapaev, Dmitry V., Mambetova, Gulnaz Sh, Babaev, Vasily M., Kuznetsov, Andrey M., Mustafina, Asiya R.
Published in Molecules (Basel, Switzerland) (11.10.2022)
Published in Molecules (Basel, Switzerland) (11.10.2022)
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Journal Article
Modulating the Inclusive and Coordinating Ability of Thiacalix[4]arene and Its Antenna Effect on Yb[sup.3+]-Luminescence via Upper-Rim Substitution
Podyachev, Sergey N, Sudakova, Svetlana N, Zairov, Rustem R, Syakaev, Victor V, Masliy, Alexey N, Dusek, Michal, Gubaidullin, Aidar T, Dovzhenko, Alexey P, Buzyurova, Daina N, Lapaev, Dmitry V, Mambetova, Gulnaz Sh, Babaev, Vasily M, Kuznetsov, Andrey M, Mustafina, Asiya R
Published in Molecules (Basel, Switzerland) (01.10.2022)
Published in Molecules (Basel, Switzerland) (01.10.2022)
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Journal Article
Structural and photophysical properties of Tb3+-tetra-1,3-diketonate complexes controlled by calix[4]arene-tetrathiacalix[4]arene scaffolds
Podyachev, Sergey N, Sudakova, Svetlana N, Nagimov, Rinas N, Lapaev, Dmitry V, Masliy, Alexey N, Syakaev, Victor V, Bazanova, Olga B, Gulnaz Sh Gimazetdinova, Babaev, Vasiliy M, Kuznetsov, Andrey M, Mustafina, Asiya R
Published in Dalton transactions : an international journal of inorganic chemistry (28.03.2019)
Published in Dalton transactions : an international journal of inorganic chemistry (28.03.2019)
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Journal Article
A simple synthetic approach to enhance the thermal luminescence sensitivity of Tb complexes with thiacalix[4]arene derivatives through upper-rim bromination
Podyachev, Sergey N, Sudakova, Svetlana N, Nagimov, Rinas N, Masliy, Alexey N, Syakaev, Victor V, Lapaev, Dmitry V, Buzyurova, Daina N, Babaev, Vasily M, Gimazetdinova, Gulnaz Sh, Kuznetsov, Andrey M, Mustafina, Asiya R
Published in Dalton transactions : an international journal of inorganic chemistry (28.06.2020)
Published in Dalton transactions : an international journal of inorganic chemistry (28.06.2020)
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Journal Article
Structural and photophysical properties of Tb 3+ -tetra-1,3-diketonate complexes controlled by calix[4]arene-tetrathiacalix[4]arene scaffolds
Podyachev, Sergey N, Sudakova, Svetlana N, Nagimov, Rinas N, Lapaev, Dmitry V, Masliy, Alexey N, Syakaev, Victor V, Bazanova, Olga B, Gimazetdinova, Gulnaz Sh, Babaev, Vasiliy M, Kuznetsov, Andrey M, Mustafina, Asiya R
Published in Dalton transactions : an international journal of inorganic chemistry (19.03.2019)
Published in Dalton transactions : an international journal of inorganic chemistry (19.03.2019)
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Journal Article
Formation Thermodynamics of Cucurbit[6]uril Macrocycle Molecules: A Theory Study
Bakovets, Vladimir V, Masliy, Alexey N, Kuznetsov, Andrey M
Published in The journal of physical chemistry. B (25.09.2008)
Published in The journal of physical chemistry. B (25.09.2008)
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Journal Article
Silver mediated duplex-type complexes of pyrimidinophanes and their acyclic counterparts
Podyachev, Sergey N, Masliy, Alexey N, Semenov, Vyacheslav E, Syakaev, Victor V, Sudakova, Svetlana N, Voronina, Julia K, Ivanov, Vladimir T, Kuznetsov, Andrey M, Gogolashvili, Edward L, Reznik, Vladimir S, Konovalov, Alexander I
Published in RSC advances (01.01.2015)
Published in RSC advances (01.01.2015)
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Journal Article
A density functional study of dissociative electron transfer reactions with participation of halogenated methanes
Kuznetsov, Andrey M., German, Ernst D., Masliy, Alexey N., Korshin, Gregory V.
Published in Journal of electroanalytical chemistry (Lausanne, Switzerland) (01.12.2004)
Published in Journal of electroanalytical chemistry (Lausanne, Switzerland) (01.12.2004)
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