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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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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 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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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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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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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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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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Dissociative Recombination of HCNH+: Absolute Cross-Sections and Branching Ratios

The Astrophysical journal. Supplement series, 2001-08, Vol.135 (2), p.275-283

2001

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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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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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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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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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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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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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Dynamics of Thermoluminescence under Dual-Wavelength Vis–IR Laser Excitation of Eosin Molecules in a Polyvinyl Butyral Film Containing Oxygen and Silver Nanoparticles

Optics and spectroscopy, 2018-12, Vol.125 (6), p.874-881

2018

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Structure and spectral and luminescence properties of the trinuclear zinc complex with (E)-5-((2,6-diethylphenylimino)methyl)-2-methylquinolin-8-ol: Experimental and DFT study

Russian journal of inorganic chemistry, 2015-12, Vol.60 (12), p.1560-1567

2015

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Ab Initio Study of Electronic States of Astrophysically Important Molecules

Russian physics journal, 2016-08, Vol.59 (4), p.536-543

2016

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Analysis of the electronic, IR, and 1H NMR spectra of conjugated oligomers based on 4,4'-triphenylamine vinylene

Optics and spectroscopy, 2016-09, Vol.121 (3), p.348-356

2016

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Synthesis and luminescent properties of copper(I) complexes with 3-pyridin-2-yl-5-(4-R-phenyl)-1H-1,2,4-triazoles

Russian journal of inorganic chemistry, 2017-04, Vol.62 (4), p.423-430

2017

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Theoretical study on low-lying states of silicon iodide:MRCI+Q calculation including spin-orbit coupling

Journal of quantitative spectroscopy & radiative transfer, 2023-12, Vol.310, p.108713, Article 108713

2023

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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

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

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

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

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

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

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

Dissociative Recombination of HCNH+: Absolute Cross-Sections and Branching Ratios

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

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

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

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

The Electronic Structure and Spectra of Triphenylamines Functionalized by Phenylethynyl Groups

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

Dynamics of Thermoluminescence under Dual-Wavelength Vis–IR Laser Excitation of Eosin Molecules in a Polyvinyl Butyral Film Containing Oxygen and Silver Nanoparticles

Structure and spectral and luminescence properties of the trinuclear zinc complex with (E)-5-((2,6-diethylphenylimino)methyl)-2-methylquinolin-8-ol: Experimental and DFT study

Ab Initio Study of Electronic States of Astrophysically Important Molecules

Analysis of the electronic, IR, and 1H NMR spectra of conjugated oligomers based on 4,4'-triphenylamine vinylene

Synthesis and luminescent properties of copper(I) complexes with 3-pyridin-2-yl-5-(4-R-phenyl)-1H-1,2,4-triazoles

Theoretical study on low-lying states of silicon iodide:MRCI+Q calculation including spin-orbit coupling

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