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New Aspects of the Airglow Problem and Reactivity of the Dioxygen Quintet O2(5Πg) State in the MLT Region as Predicted by DFT Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-11, Vol.124 (46), p.9638-9655

2020

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First-principles calculations of anharmonic and deuteration effects on the photophysical properties of polyacenes and porphyrinoids

Physical chemistry chemical physics : PCCP, 2020-10, Vol.22 (39), p.22314-22323

2020

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Calculation of the singlet-triplet magnetic and electro-quadrupole transitions intensity for Ge2 molecule

Molecular physics, 2022-06, Vol.120 (11)

2022

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Triplet state harvesting and search for forbidden transition intensity in the nitrogen molecule

Frontiers in chemistry, 2022-10, Vol.10, p.1005684-1005684

2022

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Aromaticity of the planar hetero[8]circulenes and their doubly charged ions: NICS and GIMIC characterization

Physical chemistry chemical physics : PCCP, 2014-08, Vol.16 (29), p.15367-15374

2014

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Spin-spin and spin-orbit interactions in nanographene fragments: A quantum chemistry approach

The Journal of chemical physics, 2012-03, Vol.136 (10), p.104702-104702-16

2012

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Efficient “Warm-White” OLEDs Based on the Phosphorescent bis-Cyclometalated iridium(III) Complex

Journal of physical chemistry. C, 2014-05, Vol.118 (21), p.11271-11278

2014

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Aromaticity and photophysics of tetrasila- and tetragerma-annelated tetrathienylenes as new representatives of the hetero[8]circulene family

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (18), p.9246-9254

2019

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Electronic structure, aromaticity and spectra of hetero[8]circulenes

Russian chemical reviews, 2015-01, Vol.84 (5), p.455-484

2015

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Fragmentation of the adenine and guanine molecules induced by electron collisions

The Journal of chemical physics, 2014-05, Vol.140 (17), p.175101-175101

2014

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Theoretical DFT study of phosphorescence from porphyrins

Chemical physics, 2005-08, Vol.315 (3), p.215-239

2005

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The art of the possible: computational design of the 1D and 2D materials based on the tetraoxa[8]circulene monomer

RSC advances, 2014-01, Vol.4 (49), p.25843-25851

2014

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Identification of tautomeric intermediates of a novel thiazolylazonaphthol dye – A density functional theory study

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2018-10, Vol.203, p.324-332

2018

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New WOLEDs based on π-extended azatrioxa[8]circulenes

Journal of materials chemistry. C, Materials for optical and electronic devices, 2017, Vol.5 (17), p.4123-4128

2017

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Ab initio investigation of electric and magnetic dipole electronic transitions in the complex of oxygen with benzene

Journal of molecular modeling, 2016-09, Vol.22 (9), p.214-8, Article 214

2016

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Parametric Studies of a Globus-3 Spherical Tokamak with Various Options of Electromagnetic Systems Based on Copper Alloys Using the GLOBSYS Code

Physics of atomic nuclei, 2022-12, Vol.85 (Suppl 1), p.S17-S33

2022

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Triplet State Phosphorescence in Tris(8-hydroxyquinoline) Aluminum Light Emitting Diode Materials

Journal of physical chemistry. C, 2013-02, Vol.117 (7), p.3446-3455

2013

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How cofactor-free oxygenases can overcome spin prohibition in substrates oxygenation by dioxygen

Chemical physics, 2019-05, Vol.521, p.61-68

Minaev, B.F.

2019

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Influence of Molecular Oxygen on Ortho-Para Conversion of Water Molecules

Russian physics journal, 2017-07, Vol.60 (3), p.485-493

2017

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Spin-orbit coupling mechanism of singlet oxygen a1Δg quenching by solvent vibrations

Chemical physics, 2017-02, Vol.483-484, p.84-95

Minaev, B.F.

2017

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Calculation of the optical spectra of the copper(I) complex with triphenylphosphine, iodine, and 3-pyridine-2-yl-5-phenyl-1H-1,2,4-triazole by the DFT method

Optics and spectroscopy, 2017-02, Vol.122 (2), p.175-183

2017

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Comparative study of the structural and spectral properties of tetraaza- and tetraoxaannelated tetracirculenes

Optics and spectroscopy, 2017-04, Vol.122 (4), p.523-540

2017

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N-annelated perylenes as effective green emitters for OLEDs

RSC advances, 2015-01, Vol.5 (95), p.7815-78159

2015

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The Electronic Structure and Spectra of Triphenylamines Functionalized by Phenylethynyl Groups

Optics and spectroscopy, 2018-01, Vol.124 (1), p.57-64

2018

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Structure of zinc complexes with 3-(pyridin-2-yl)-5-(arylideneiminophenyl)-1H-1,2,4-triazoles in different tautomeric forms: DFT and QTAIM study

Russian journal of inorganic chemistry, 2013-08, Vol.58 (8), p.928-934

2013

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New Aspects of the Airglow Problem and Reactivity of the Dioxygen Quintet O2(5Πg) State in the MLT Region as Predicted by DFT Calculations

First-principles calculations of anharmonic and deuteration effects on the photophysical properties of polyacenes and porphyrinoids

Calculation of the singlet-triplet magnetic and electro-quadrupole transitions intensity for Ge2 molecule

Triplet state harvesting and search for forbidden transition intensity in the nitrogen molecule

Aromaticity of the planar hetero[8]circulenes and their doubly charged ions: NICS and GIMIC characterization

Spin-spin and spin-orbit interactions in nanographene fragments: A quantum chemistry approach

Efficient “Warm-White” OLEDs Based on the Phosphorescent bis-Cyclometalated iridium(III) Complex

Aromaticity and photophysics of tetrasila- and tetragerma-annelated tetrathienylenes as new representatives of the hetero[8]circulene family

Electronic structure, aromaticity and spectra of hetero[8]circulenes

Fragmentation of the adenine and guanine molecules induced by electron collisions

Theoretical DFT study of phosphorescence from porphyrins

The art of the possible: computational design of the 1D and 2D materials based on the tetraoxa[8]circulene monomer

Identification of tautomeric intermediates of a novel thiazolylazonaphthol dye – A density functional theory study

New WOLEDs based on π-extended azatrioxa[8]circulenes

Ab initio investigation of electric and magnetic dipole electronic transitions in the complex of oxygen with benzene

Parametric Studies of a Globus-3 Spherical Tokamak with Various Options of Electromagnetic Systems Based on Copper Alloys Using the GLOBSYS Code

Triplet State Phosphorescence in Tris(8-hydroxyquinoline) Aluminum Light Emitting Diode Materials

How cofactor-free oxygenases can overcome spin prohibition in substrates oxygenation by dioxygen

Influence of Molecular Oxygen on Ortho-Para Conversion of Water Molecules

Spin-orbit coupling mechanism of singlet oxygen a1Δg quenching by solvent vibrations

Calculation of the optical spectra of the copper(I) complex with triphenylphosphine, iodine, and 3-pyridine-2-yl-5-phenyl-1H-1,2,4-triazole by the DFT method

Comparative study of the structural and spectral properties of tetraaza- and tetraoxaannelated tetracirculenes

N-annelated perylenes as effective green emitters for OLEDs

The Electronic Structure and Spectra of Triphenylamines Functionalized by Phenylethynyl Groups

Structure of zinc complexes with 3-(pyridin-2-yl)-5-(arylideneiminophenyl)-1H-1,2,4-triazoles in different tautomeric forms: DFT and QTAIM study

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