Главные вкладки
А.Я. Фрейдзон
Александра
Яковлевна
Фрейдзон
Место работы, город:
Центр Фотохимии РАН, Москва
Московский инженерно-физический институт
Степень:
к.х-н.
Должность, звание:
с.н.с.
Публикации:
- A. Ya. Freidzon, I.D. Krysko and A. Bagaturyants, Phys. Chem. Chem. Phys., 2020, 22, 3539-3544, DOI: 10.1039/C9CP06455A. “Hole Hopping in Dimers of N,N′ Di(1-Naphthyl)-N,N′-Diphenyl-4,4′-Diamine (α-NPD): A Theoretical Study”.
- N.O. Dubinets, A.Y. Freidzon, A.A. Bagaturyants, Int J Quantum Chem. 2019; e26071. https://doi.org/10.1002/qua.26071, “Use of effective fragment potentials for simulation of excited states in an inhomogeneous environment”.
- Ilya D. Krysko, Alexandra Y. Freidzon, Alexander A. Bagaturyants, J. Phys. Chem. C 2019, 123, 17, 11171-11178. “Theoretical Study of the Intramolecular Localization and Migration of a Triplet Exciton in the N,N’‑Di(1-naphthyl)‑N,N’‑diphenyl-(1,1’-biphenyl)-4,4’-diamine (α-NPD) Molecule”.
- Natalia Gelfand, Alexandra Freidzon, Vitaliy Vovna, Spectrochim. Acta Part A: Molecular and Biomolecular Spectroscopy 216 (2019) 161–172. “Theoretical insights into UV–Vis absorption spectra of difluoroboron b-diketonates with an extended p system: An analysis based on DFT and TD-DFT calculations”.
- Valery V. Volchkov, Mikhail N. Khimich, Mikhail V. Rusalov, Fedor E. Gostev, Ivan V. Shelaev, Viktor A. Nadtochenko, Artem I. Vedernikov, Sergey P. Gromov, Alexandra Ya. Freidzon, Michael V. Alfimov and Mikhail Ya. Melnikov, Photochem. Photobiol. Sci., 2019, 18, 232-241. “Formation of a supramolecular charge-transfer complex. Ultrafast excited state dynamics and quantum-chemical calculations”.
- Alexandra Ya. Freidzon, Ilia A. Kurbatov and Vitaliy I. Vovna, Phys. Chem. Chem. Phys., 2018, 20, 14564. “Ab initio calculation of energy levels of trivalent lanthanide ions”.
- Natalia Gelfand, Alexandra Freidzon, Elena Fedorenko, J. Mol. Structure 1151 (2018) 177-185. “The molecular structure and absorption spectrum of hydroxy substituted dibenzoylmethanatoboron difluoride in solution: A theoretical and experimental study”.
- Alexandra Ya. Freidzon, Andrey A. Safonov, Alexander A. Bagaturyants, Dmitry N. Krasikov, Boris V. Potapkin, Alexey A. Osipov, Alexander V. Yakubovich, and Ohyun Kwon, J. Phys. Chem. C 2017, 121, 22422−22433. “Predicting the Operational Stability of Phosphorescent OLED Host Molecules from First Principles: A Case Study”.
- Artëm E. Masunov, Arman Tannu, Alexander A. Dyakov, Anastasia D. Matveeva, Alexandra Ya. Freidzon, Alexey V. Odinokov, Alexander A. Bagaturyants, J. Chem. Phys., 2017, vol. 146, no. 24, 244104. “First principles crystal engineering of nonlinear optical materials. I. Prototypical case of urea”.
Область экспертизы:
Квантовая и вычислительная химия