Alexander Bagaturyants
Alexander Bagaturyants
Центр фотохимии РАН, ФНИЦ Кристаллография и фотоника
E-mailová adresa ověřena na:
Structure and electronic properties of zirconium and hafnium nitrides and oxynitrides
DI Bazhanov, AA Knizhnik, AA Safonov, AA Bagatur’Yants, MW Stoker, ...
Journal of applied physics 97 (4), 044108, 2005
Ab initio relativistic pseudopotential study of small silver and gold sulfide clusters and 2
AA Bagatur’yants, AA Safonov, H Stoll, HJ Werner
The Journal of chemical physics 109 (8), 3096-3107, 1998
First-principle investigation of the hydroxylation of zirconia and hafnia surfaces
IM Iskandarova, AA Knizhnik, EA Rykova, AA Bagatur’yants, BV Potapkin, ...
Microelectronic engineering 69 (2-4), 587-593, 2003
Applied Quantum Chemistry
GM Zhidomirov, AA Bagatur'yants, IA Abronin
Calculations on Reactivity and Mechanisms of Chemical Reactions.(Moscow …, 1979
Mechanism and kinetics of thin zirconium and hafnium oxide film growth in an ALD reactor
M Deminsky, A Knizhnik, I Belov, S Umanskii, E Rykova, A Bagatur’yants, ...
Surface science 549 (1), 67-86, 2004
First-principles-based investigation of kinetic mechanism of SiC (0001) dry oxidation including defect generation and passivation
A Gavrikov, A Knizhnik, A Safonov, A Scherbinin, A Bagatur’yants, ...
Journal of applied physics 104 (9), 093508, 2008
First-principles calculations of the electrical properties of and its interface with Si
AA Knizhnik, IM Iskandarova, AA Bagatur’Yants, BV Potapkin, ...
Physical Review B 72 (23), 235329, 2005
Theoretical study of structure and electronic absorption spectra of some Schiff bases and their zinc complexes
KG Vladimirova, AY Freidzon, OV Kotova, AA Vaschenko, LS Lepnev, ...
Inorganic chemistry 48 (23), 11123-11130, 2009
DFT calculations on the electronic and geometrical structure of 18-crown-6 complexes with Ag+, Hg2+, Ag0, Hg+, Hg0, AgNO3, and HgX2 (X= Cl, Br, and I)
AA Bagatur'yants, AY Freidzon, MV Alfimov, EJ Baerends, JAK Howard, ...
Journal of Molecular Structure: THEOCHEM 588 (1-3), 55-69, 2002
Silicon nitride chemical vapor deposition from dichlorosilane and ammonia: theoretical study of surface structures and reaction mechanism
AA Bagatur'yants, KP Novoselov, AA Safonov, JV Cole, M Stoker, ...
Surface science 486 (3), 213-225, 2001
Impact of oxygen on the work functions of Mo in vacuum and on
AA Knizhnik, IM Iskandarova, AA Bagatur’yants, BV Potapkin, ...
Journal of applied physics 97 (6), 064911, 2005
Ab Initio Study of BiFeO3: Thermodynamic Stability Conditions
E Heifets, EA Kotomin, AA Bagaturyants, J Maier
The journal of physical chemistry letters 6 (14), 2847-2851, 2015
Solvatofluorochromism and twisted intramolecular charge‐transfer state of the nile red dye
A Ya. Freidzon, AA Safonov, AA Bagaturyants, MV Alfimov
International Journal of Quantum Chemistry 112 (18), 3059-3067, 2012
Numerical calculations of optical lineshapes for disordered molecular aggregates
DV Makhov, VV Egorov, AA Bagatur'yants, MV Alfimov
Chemical physics letters 246 (4-5), 371-380, 1995
Ab initio study of phosphorescent emitters based on rare-earth complexes with organic ligands for organic electroluminescent devices
AY Freidzon, AV Scherbinin, AA Bagaturyants, MV Alfimov
The journal of physical chemistry A 115 (18), 4565-4573, 2011
Ab initio study of energy transfer pathways in dinuclear lanthanide complex of europium (III) and terbium (III) ions
KA Romanova, AY Freidzon, AA Bagaturyants, YG Galyametdinov
The Journal of Physical Chemistry A 118 (47), 11244-11252, 2014
Symmetry-breaking in cationic polymethine dyes: part 2. Shape of electronic absorption bands explained by the thermal fluctuations of the solvent reaction field
AE Masunov, D Anderson, AY Freidzon, AA Bagaturyants
The Journal of Physical Chemistry A 119 (26), 6807-6815, 2015
Molecular simulation of the complexation effects on conformations and electronic absorption spectra of crown ether styryl dyes
II Baskin, KY Burshtein, AA Bagatur'yants, SP Gromov, MV Alfimov
Journal of molecular structure 274, 93-104, 1992
Modelling of ZrO2 deposition from ZrCl4 and H2O on the Si (1 0 0) surface: initial reactions and surface structures
VV Brodskii, EA Rykova, AA Bagatur'yants, AA Korkin
Computational materials science 24 (1-2), 278-283, 2002
Water complexes and hydrolysis of silicon tetrafluoride in the gas phase: An ab initio study
SK Ignatov, PG Sennikov, BS Ault, AA Bagatur'yants, IV Simdyanov, ...
The Journal of Physical Chemistry A 103 (41), 8328-8336, 1999
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Články 1–20