Ab Initio Insight into the Interaction of Metal-Decorated Fluorinated Carbon Fullerenes with Anti-COVID Drugs
Katin, Konstantin P, Kochaev, Alexey I, Kaya, Savas, El-Hajjaji, Fadoua, Maslov, Mikhail M
Published in International journal of molecular sciences (21.02.2022)
Published in International journal of molecular sciences (21.02.2022)
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Journal Article
Thermal Stability and Vibrational Properties of the 6,6,12-Graphyne-Based Isolated Molecules and Two-Dimensional Crystal
Dolina, Ekaterina S, Kulyamin, Pavel A, Grekova, Anastasiya A, Kochaev, Alexey I, Maslov, Mikhail M, Katin, Konstantin P
Published in Materials (27.02.2023)
Published in Materials (27.02.2023)
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Journal Article
Anisotropic Carrier Mobility and Spectral Fingerprints of Two-Dimensional γ‑Phosphorus Carbide with Antisite Defects
Katin, Konstantin P., Maslov, Mikhail M., Nikitenko, Vladimir R., Kochaev, Alexey I., Kaya, Savas, Prezhdo, Oleg V.
Published in The journal of physical chemistry letters (12.01.2023)
Published in The journal of physical chemistry letters (12.01.2023)
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Journal Article
Moiré and non-twisted sp-hybridized structures based on hexagonal boron nitride bilayers: Ab initio insight into infrared and Raman spectra, bands structures and mechanical properties
Chernozatonskii, Leonid A., Katin, Konstantin P., Kochaev, Alexey I., Maslov, Mikhail M.
Published in Applied surface science (30.12.2022)
Published in Applied surface science (30.12.2022)
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Journal Article
Moiré and non-twisted sp3-hybridized structures based on hexagonal boron nitride bilayers: Ab initio insight into infrared and Raman spectra, bands structures and mechanical properties
Chernozatonskii, Leonid A., Katin, Konstantin P., Kochaev, Alexey I., Maslov, Mikhail M.
Published in Applied surface science (30.12.2022)
Published in Applied surface science (30.12.2022)
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Journal Article
Interaction of pristine and novel graphene allotropes with copper nanoparticles: Coupled density functional and molecular dynamics study
Katin, Konstantin P., Kochaev, Alexey I., Bereznitskiy, Igor V., Kalika, Elizaveta B., Kaya, Savas, Flores-Moreno, Roberto, Maslov, Mikhail M.
Published in Diamond and related materials (01.10.2023)
Published in Diamond and related materials (01.10.2023)
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Journal Article
Anisotropic Carrier Mobility and Spectral Fingerprints of Two-Dimensional γ-Phosphorus Carbide with Antisite Defects
Katin, Konstantin P., Maslov, Mikhail M., Nikitenko, Vladimir R., Kochaev, Alexey I., Kaya, Savas, Prezhdo, Oleg V.
Published in The journal of physical chemistry letters (30.12.2022)
Published in The journal of physical chemistry letters (30.12.2022)
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Journal Article
Fluorinated carbon and boron nitride fullerenes for drug Delivery: Computational study of structure and adsorption
Kalika, Elizaveta B., Katin, Konstantin P., Kochaev, Alexey I., Kaya, Savas, Elik, Mustafa, Maslov, Mikhail M.
Published in Journal of molecular liquids (01.05.2022)
Published in Journal of molecular liquids (01.05.2022)
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Journal Article
Adsorption of 40 low molecular weight drugs on pristine and fluorinated C60 fullerenes: Ab initio, statistical and neural networks analysis
Kalika, Elizaveta B., Bondarev, Nikolay V., Katin, Konstantin P., Kochaev, Alexey I., Grekova, Anastasiya A., Kaya, Savas, Bauetdinov, Yusupbek A., Maslov, Mikhail M.
Published in Journal of molecular liquids (01.05.2023)
Published in Journal of molecular liquids (01.05.2023)
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Journal Article
All-Nitrogen Cages and Molecular Crystals: Topological Rules, Stability, and Pyrolysis Paths
Katin, Konstantin P., Merinov, Valeriy B., Kochaev, Alexey I., Kaya, Savas, Maslov, Mikhail M.
Published in Computation (01.12.2020)
Published in Computation (01.12.2020)
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