Gas-Phase Structure of 3,7,9-tris(trifluoromethylsulfonyl)-3,7,9-triazabicyclo[3.3.1]nonane by GED and Theoretical Calculations

por Shainyan, Bagrat A., Eroshin, Alexey V., Mukhina, Valeriya A., Shlykov, Sergey A.
Publicado 2023

Iron(II) Complexes with Porphyrin and Tetrabenzoporphyrin: CASSCF/MCQDPT2 Study of the Electronic Structures and UV–Vis Spectra by sTD-DFT

por Eroshin, Alexey V., Koptyaev, Andrey I., Otlyotov, Arseniy A., Minenkov, Yury, Zhabanov, Yuriy A.
Publicado 2023

DFT Study of Molecular and Electronic Structure of Y, La and Lu Complexes with Porphyrazine and Tetrakis(1,2,5-thiadiazole)porphyrazine

por Zhabanov, Yuriy A., Ryzhov, Igor V., Kuzmin, Ilya A., Eroshin, Alexey V., Stuzhin, Pavel A.
Publicado 2020

DFT Study of the Molecular and Electronic Structure of Metal-Free Tetrabenzoporphyrin and Its Metal Complexes with Zn, Cd, Al, Ga, In

por Eroshin, Alexey V., Otlyotov, Arseniy A., Kuzmin, Ilya A., Stuzhin, Pavel A., Zhabanov, Yuriy A.
Publicado 2022

DFT Study of Molecular Structure, Electronic and Vibrational Spectra of Tetrapyrazinoporphyrazine, Its Perchlorinated Derivative and Their Al, Ga and In Complexes

por Ryzhov, Igor V., Eroshin, Alexey V., Zhabanov, Yuriy A., Finogenov, Daniil N., Stuzhin, Pavel A.
Publicado 2022

Molecular Structure, Thermodynamic and Spectral Characteristics of Metal-Free and Nickel Complex of Tetrakis(1,2,5-thiadiazolo)porphyrazine

por Zhabanov, Yuriy A., Eroshin, Alexey V., Ryzhov, Igor V., Kuzmin, Ilya A., Finogenov, Daniil N., Stuzhin, Pavel A.
Publicado 2021