Energy and Electronic Properties of Nanostructures Based on the CL-20 Framework with the Replacement of the Carbon Atoms by Silicon and Germanium: A Density Functional Theory Study

por Gimaldinova, Margarita A., Maslov, Mikhail M., Katin, Konstantin P.
Publicado 2022

On the Impact of Substrate Uniform Mechanical Tension on the Graphene Electronic Structure

por Katin, Konstantin P., Maslov, Mikhail M., Krylov, Konstantin S., Mur, Vadim D.
Publicado 2020

Computer Test of a Modified Silicene/Graphite Anode for Lithium-Ion Batteries

por Galashev, Alexander Y., Ivanichkina, Ksenia A., Katin, Konstantin P., Maslov, Mikhail M.
Publicado 2020

Ab Initio Insight into the Interaction of Metal-Decorated Fluorinated Carbon Fullerenes with Anti-COVID Drugs

por Katin, Konstantin P., Kochaev, Alexey I., Kaya, Savas, El-Hajjaji, Fadoua, Maslov, Mikhail M.
Publicado 2022

Evaluation of the Anticancer and Biological Activities of Istaroxime via Ex Vivo Analyses, Molecular Docking and Conceptual Density Functional Theory Computations

por Gok, Ege, Unal, Naz, Gungor, Burcin, Karakus, Gulderen, Kaya, Savas, Canturk, Pakize, Katin, Konstantin P.
Publicado 2023

High-Performance Material for the Effective Removal of Uranyl Ion from Solution: Computationally Supported Experimental Studies

por Şimşek, Selçuk, Derin, Yavuz, Kaya, Savaş, Şenol, Zeynep Mine, Katin, Konstantin P., Özer, Ali, Tutar, Ahmet
Publicado 2022

Thermal Stability and Vibrational Properties of the 6,6,12-Graphyne-Based Isolated Molecules and Two-Dimensional Crystal

por Dolina, Ekaterina S., Kulyamin, Pavel A., Grekova, Anastasiya A., Kochaev, Alexey I., Maslov, Mikhail M., Katin, Konstantin P.
Publicado 2023

A Comparative XPS, UV PES, NEXAFS, and DFT Study of the Electronic Structure of the Salen Ligand in the H(2)(Salen) Molecule and the [Ni(Salen)] Complex

por Korusenko, Petr M., Petrova, Olga V., Vereshchagin, Anatoliy A., Katin, Konstantin P., Levin, Oleg V., Nekipelov, Sergey V., Sivkov, Danil V., Sivkov, Victor N., Vinogradov, Alexander S.
Publicado 2023