A. A. Bagatur’yants - Publications, H-index & Citations

A. A. Bagatur’yants

national research centre - kurchatov institute

25H指数

184论文数

2.0K被引数

收录论文 22

发表时间

Anisotropic Hole Transport in a p-Quaterphenyl Molecular Crystal: Theory and Simulation

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-06-04

PREAI

Freidzon, A. Ya; Bagaturyants, A. A.; Burdakov, Ya, V; Nikitenko, V. R.; Postnikov, V. A.

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

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2019-03-29

PREAI

Krysko, Ilya D.; Freidzon, Alexandra Y.; Bagaturyants, Alexander A.

pyEFP: Automatic Decomposition of the Complex Molecular Systems into Rigid Polarizable Fragments

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2017-12-26

PREAI

Odinokov, Alexey V.; Dubinets, Nikita O.; Bagaturyants, Alexander A.

Predicting the Operational Stability of Phosphorescent OLED Host Molecules from First Principles: A Case Study

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2017-09-29

PREAI

Freidzon, Alexandra Ya.; Safonov, Andrey A.; Bagaturyants, Alexander A.; Krasikov, Dmitry N.; Potapkin, Boris V.; Osipov, Alexey A.; Yakubovich, Alexander V.; Kwon, Ohyun

Predictive cartography of metal binders using generative topographic mapping

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2017-07-07

PREAI

Baskin, Igor I.; Solov'ev, Vitaly P.; Bagatur'yants, Alexander A.; Varnek, Alexandre

First principles crystal engineering of nonlinear optical materials. I. Prototypical case of urea

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-06-26

OAAI

Masunov, Artem E.; Tannu, Arman; Dyakov, Alexander A.; Matveeva, Anastasia D.; Freidzon, Alexandra Ya.; Odinokov, Alexey V.; Bagaturyants, Alexander A.

Synthesis and photophysical properties of halogenated derivatives of (dibenzoylmethanato)boron difluoride

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2017-03-01

PREAI

Kononevich, Yuriy N.; Surin, Nikolay M.; Sazhnikov, Viacheslav A.; Svidchenko, Evgeniya A.; Aristarkhov, Vladimir M.; Safonov, Andrei A.; Bagaturyants, Alexander A.; Alfimov, Mikhail V.; Muzafarov, Aziz M.

Computer Simulation of Shallow Traps Created by Impurity Molecules in Anthracene Crystal

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2016-10-28

PREAI

Odinokov, Alexey V.; Bagaturyants, Alexander A.

Theoretical Study of the Spectral and Charge-Transport Parameters of an Electron-Transporting Material Bis(10-hydroxybenzo[h]qinolinato)beryllium (Bebq2)

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2015-11-20

PREAI

Freidzon, Alexandra Ya.; Safonov, Andrei A.; Bagaturyants, Alexander A.

Synthesis, structure and spectral properties of 9-diarylamino-substituted acridines

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2013-12-01

PREAI

Sazhnikov, Viacheslav A.; Khlebunov, Artem A.; Sazonov, Sergey K.; Vedernikov, Artem I.; Safonov, Andrei A.; Bagatur'yants, Alexander A.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Gromov, Sergey P.; Alfimov, Michael V.

Macrocyclic Complexes of Palladium(II) with Benzothiacrown Ethers: Synthesis, Characterization, and Structure of cis and trans Isomers

INORGANIC CHEMISTRY

IF4.7

2011-07-19

PREAI

Dmitrieva, Svetlana N.; Sidorenko, Natalia I.; Kurchavov, Nikolay A.; Vedernikov, Artem I.; Freidzon, Alexandra Ya.; Kuz'mina, Lyudmila C.; Buryak, Aleksei K.; Buslaeva, Tat'yana M.; Bagatur'yants, Alexander A.; Strelenko, Yuri A.; Howard, Judith A. K.; Gromov, Sergey P.

Theoretical investigations on the high light yield of the LuI3:Ce scintillator

JOURNAL OF LUMINESCENCE

IF3.6

2009-12-01

PREAI

Vasil'ev, A. N.; Iskandarova, I. M.; Scherbinin, A. V.; Markov, I. A.; Bagatur'yants, A. A.; Potapkin, B. V.; Srivastava, A. M.; Vartuli, J. S.; Duclos, S. J.

Theoretical Study of Structure and Electronic Absorption Spectra of Some Schiff Bases and Their Zinc Complexes

INORGANIC CHEMISTRY

IF4.7

2009-11-05

PREAI

Vladimirova, Kseniya G.; Freidzon, Alexandra Ya.; Kotova, Oxana V.; Vaschenko, Andrei A.; Lepnev, Leonid S.; Bagatur'yants, Alexander A.; Vitukhnovskiy, Alexel G.; Stepanov, Nickolai F.; Alfimov, Michael V.

Energy level structure of 4f5d states and the Stokes shift in LaPO4:Pr3+: A theoretical study

PHYSICAL REVIEW B

IF3.7

2008-10-28

PREAI

Bagatur'yants, A. A.; Iskandarova, I. M.; Knizhnik, A. A.; Mironov, V. S.; Potapkin, B. V.; Srivastava, A. M.; Sommerer, T. J.

Computational study of ZrSiO4 polymorphs

APPLIED PHYSICS LETTERS

IF3.6

2006-05-04

PREAI

Korkin, A; Kamisaka, H; Yamashita, K; Safonov, A; Bagatur'yants, A