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Journal of Molecular Modeling|July 14, 2023
Amorphous cis-1,4-polybutadiene P-V-T properties from atomistic simulationsAigul Shamsieva, Irina Piyanzina, Benoit MinisiniJournal of Molecular Modeling|February 4, 2015
Density functional theory calculations on azobenzene derivatives: a comparative study of functional group effectIrina Piyanzina, Benoit Minisini, Dmitrii Tayurskii, et al.Materials (Basel, Switzerland)|December 11, 2022
DFT Insight into Conductive and Magnetic Properties of Heterostructures with BaTiO<sub>3</sub> OverlayerAlina Zagidullina, Irina Piyanzina, Zvonko Jagličić, et al.International Journal of Molecular Sciences|July 29, 2023
Molecular Dynamics Modeling for the Determination of Elastic Moduli of Polymer-Single-Walled Carbon Nanotube CompositesAigul Shamsieva, Alexander Evseev, Irina Piyanzina, et al.Journal of Molecular Graphics & Modelling|October 13, 2023
Theoretical design of transition metal-doped oxo-triarylmethyl as a disposable platform for adsorption of ibuprofenSadegh Kaviani, Mohammad Khajavian, Irina Piyanzina, et al.International Journal of Biological Macromolecules|December 15, 2023
Chitosan-based adsorptive membrane modified by carboxymethyl cellulose for heavy metal ion adsorption: Experimental and density functional theory investigationsMohammad Khajavian, Sadegh Kaviani, Irina Piyanzina, et al.RSC Advances|April 24, 2025
First-principles design of GaN-VHC (H = Cl, Br; C = Se, Te) van der Waals heterostructures for advanced optoelectronic applicationsSheraz Ahmad, Shah Saleem Ullah, Haleem Ud Din, et al.Materials (Basel, Switzerland)|October 28, 2023
Advantages of Ferroelectrics as a Component of Heterostructures for Electronic Purposes: A DFT InsightIrina Piyanzina, Alexander Evseev, Kirill Evseev, et al.Pageof 1