SI: Advances in Density Functional Theory (DFT) Studies of Solids

por Oreshonkov, Aleksandr S.
Publicado 2022

Structural Features of Y(2)O(2)SO(4) via DFT Calculations of Electronic and Vibrational Properties

por Oreshonkov, Aleksandr S., Denisenko, Yuriy G.
Publicado 2021

Raman Spectroscopy of Janus MoSSe Monolayer Polymorph Modifications Using Density Functional Theory

por Oreshonkov, Aleksandr S., Sukhanova, Ekaterina V., Popov, Zakhar I.
Publicado 2022

Structural and Spectroscopic Effects of Li(+) Substitution for Na(+) in Li(x)Na(1-x)CaGd(0.5)Ho(0.05)Yb(0.45)(MoO(4))(3) Scheelite-Type Upconversion Phosphors

por Lim, Chang-Sung, Aleksandrovsky, Aleksandr, Molokeev, Maxim, Oreshonkov, Aleksandr, Atuchin, Victor
Publicado 2021

Halogen-Doped Chevrel Phase Janus Monolayers for Photocatalytic Water Splitting

por Sukhanova, Ekaterina V., Sagatov, Nursultan E., Oreshonkov, Aleksandr S., Gavryushkin, Pavel N., Popov, Zakhar I.
Publicado 2023

Single Crystals of EuScCuSe(3): Synthesis, Experimental and DFT Investigations

por Grigoriev, Maxim V., Ruseikina, Anna V., Chernyshev, Vladimir A., Oreshonkov, Aleksandr S., Garmonov, Alexander A., Molokeev, Maxim S., Locke, Ralf J. C., Elyshev, Andrey V., Schleid, Thomas
Publicado 2023

Structural, Electronic and Vibrational Properties of YAl(3)(BO(3))(4)

por Oreshonkov, Aleksandr S., Roginskii, Evgenii M., Shestakov, Nikolai P., Gudim, Irina A., Temerov, Vladislav L., Nemtsev, Ivan V., Molokeev, Maxim S., Adichtchev, Sergey V., Pugachev, Alexey M., Denisenko, Yuriy G.
Publicado 2020

Structural, Spectroscopic, Electric and Magnetic Properties of New Trigonal K(5)FeHf(MoO(4))(6) Orthomolybdate

por Grossman, Victoria, Atuchin, Victor, Bazarov, Bair G., Aleksandrovsky, Aleksandr, Eremin, Evgeniy, Krylov, Alexander, Kuratieva, Natalia, Bazarova, Jibzema G., Maximov, Nikolai, Molokeev, Maxim, Oreshonkov, Aleksandr, Pervukhina, Natalia, Shestakov, Nikolay
Publicado 2023

Exploration of the Crystal Structure and Thermal and Spectroscopic Properties of Monoclinic Praseodymium Sulfate Pr(2)(SO(4))(3)

por Denisenko, Yuriy G., Atuchin, Victor V., Molokeev, Maxim S., Sedykh, Alexander E., Khritokhin, Nikolay A., Aleksandrovsky, Aleksandr S., Oreshonkov, Aleksandr S., Shestakov, Nikolai P., Adichtchev, Sergey V., Pugachev, Alexey M., Sal’nikova, Elena I., Andreev, Oleg V., Razumkova, Illaria A., Müller-Buschbaum, Klaus
Publicado 2022

Quaternary Selenides EuLnCuSe(3): Synthesis, Structures, Properties and In Silico Studies

por Grigoriev, Maxim V., Solovyov, Leonid A., Ruseikina, Anna V., Aleksandrovsky, Aleksandr S., Chernyshev, Vladimir A., Velikanov, Dmitriy A., Garmonov, Alexander A., Molokeev, Maxim S., Oreshonkov, Aleksandr S., Shestakov, Nikolay P., Matigorov, Alexey V., Volkova, Svetlana S., Ostapchuk, Evgeniy A., Kertman, Alexander V., Schleid, Thomas, Safin, Damir A.
Publicado 2022