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Bagaturyants, Alexander A.
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1

Theoretical Study of Charge-Transfer Exciplexes in Organic ..:

Freidzon, Alexandra ; Dubinets, Nikita ; Bagaturyants, Alexander
The Journal of Physical Chemistry A.  126 (2022)  13 - p. 2111-2118 , 2022
Link: https://doi.org/10.1021/..
 
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2

In-Depth Ab Initio Study of Thermally Activated Delayed Flu..:

Freidzon, Alexandra Ya. ; Bagaturyants, Alexander A.
The Journal of Physical Chemistry A.  124 (2020)  39 - p. 7927-7934 , 2020
Link: https://doi.org/10.1021/..
 
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3

Use of effective fragment potentials for simulation of exci..:

Dubinets, Nikita O. ; Freidzon, Alexandra Y. ; Bagaturyants, Alexander A.
International Journal of Quantum Chemistry.  120 (2019)  2 - p. , 2019
Link: https://doi.org/10.1002/..
 
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4

Thermodynamic stability of non-stoichiometric SrFeO3−δ: a h..:

Heifets, Eugene ; Kotomin, Eugene A. ; Bagaturyants, Alexander A..
Physical Chemistry Chemical Physics.  21 (2019)  7 - p. 3918-3931 , 2019
Link: https://doi.org/10.1039/..
 
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5

Theoretical Study of the Intramolecular Localization and Mi..:

Krysko, Ilya D. ; Freidzon, Alexandra Y. ; Bagaturyants, Alexander A.
The Journal of Physical Chemistry C.  123 (2019)  17 - p. 11171-11178 , 2019
Link: https://doi.org/10.1021/..
 
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6

Structures of the neutral and positively charged forms of t..:

Safonov, Andrey ; Rykova, Elena ; Bagaturyants, Alexander
Journal of Molecular Modeling.  24 (2018)  12 - p. , 2018
Link: https://doi.org/10.1007/..
 
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7

First principles crystal engineering of nonlinear optical m..:

Masunov, Artëm E. ; Tannu, Arman ; Dyakov, Alexander A....
The Journal of Chemical Physics.  146 (2017)  24 - p. , 2017
Link: https://doi.org/10.1063/..
 
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8

MD/QC Simulation of the Structure and Spectroscopic Propert..:

Anger, Igor ; Rykova, Elena ; Bagaturyants, Alexander
ChemistrySelect.  2 (2017)  29 - p. 9495-9500 , 2017
Link: https://doi.org/10.1002/..
 
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9

pyEFP: Automatic decomposition of the complex molecular sys..:

Odinokov, Alexey V. ; Dubinets, Nikita O. ; Bagaturyants, Alexander A.
Journal of Computational Chemistry.  39 (2017)  13 - p. 807-814 , 2017
Link: https://doi.org/10.1002/..
 
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10

Predicting the Operational Stability of Phosphorescent OLED..:

Freidzon, Alexandra Ya. ; Safonov, Andrey A. ; Bagaturyants, Alexander A....
The Journal of Physical Chemistry C.  121 (2017)  40 - p. 22422-22433 , 2017
Link: https://doi.org/10.1021/..
 
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11

Predictive cartography of metal binders using generative to..:

Baskin, Igor I. ; Solov'ev, Vitaly P. ; Bagatur'yants, Alexander A..
Journal of Computer-Aided Molecular Design.  31 (2017)  8 - p. 701-714 , 2017
Link: https://doi.org/10.1007/..
 
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12

Thermodynamic stability of stoichiometric LaFeO3 and BiFeO3..:

Heifets, Eugene ; Kotomin, Eugene A. ; Bagaturyants, Alexander A..
Physical Chemistry Chemical Physics.  19 (2017)  5 - p. 3738-3755 , 2017
Link: https://doi.org/10.1039/..
 
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13

Synthesis and photophysical properties of halogenated deriv..:

Kononevich, Yuriy N. ; Surin, Nikolay M. ; Sazhnikov, Viacheslav A....
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy.  175 (2017)  - p. 177-184 , 2017
Link: https://doi.org/10.1016/..
 
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14

Electronic Structure and Energy Transfer in Europium(III)–C..:

Emelina, Tatiana B. ; Freidzon, Alexandra Ya. ; Bagaturyants, Alexander A..
The Journal of Physical Chemistry A.  120 (2016)  38 - p. 7529-7537 , 2016
Link: https://doi.org/10.1021/..
 
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15

Computer Simulation of Shallow Traps Created by Impurity Mo..:

Odinokov, Alexey V. ; Bagaturyants, Alexander A.
The Journal of Physical Chemistry C.  120 (2016)  44 - p. 25189-25195 , 2016
Link: https://doi.org/10.1021/..
 
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