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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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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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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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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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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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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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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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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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Temperature effects in low-frequency Raman spectra of corticosteroid hormones

Optics and spectroscopy, 2015-02, Vol.118 (2), p.214-223

2015

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Features of terahertz adsorption and Raman scattering of mineralocorticoid hormones

Bulletin of the Russian Academy of Sciences. Physics, 2015-09, Vol.79 (9), p.1196-1201

2015

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Aromaticity and photophysics of tetrasila- and tetragerma-annelated tetrathienylenes as new representatives of the hetero[8]circulene familyElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01608b

2019-05

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Experimental and theoretical study of IR and Raman spectra of tetraoxa[8]circulenes

Vibrational spectroscopy, 2012-07, Vol.61, p.156-166

2012

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Solvatochromic effect in absorption and emission spectra of star-shaped bipolar derivatives of 1,3,5-triazine and carbazole. A time-dependent density functional study

Journal of molecular modeling, 2017-02, Vol.23 (2), p.55-8, Article 55

2017

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DFT study on the Raman spectra of Fe(II)-porphin

Biopolimery i kletka, 2009, Vol.25 (1), p.62-72

2009

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Study on models of O2 binding to heme using density functional theory

Biopolimery i kletka, 2009-07, Vol.25 (4), p.298-306

2009

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Study of IR spectrum of the 17β-estradiol using quantum-chemical density functional theory

Biopolimery i kletka, 2006, Vol.22 (5), p.363-374

2006

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The effect of a heteroatom on the structure and vibrational spectra of Heteroannulated tetraphenylenes

Optics and spectroscopy, 2015-10, Vol.119 (4), p.620-632

2015

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A comparative study of the electronic structure and spectra of tetraoxa[8]circulene and octathio[8]circulene

Optics and spectroscopy, 2014, Vol.116 (1), p.33-46

2014

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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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Application of Bader’s atoms in molecules theory to the description of coordination bonds in the complex compounds of Ca2+ and Mg2+ with methylidene rhodanine and its anion

Russian journal of general chemistry, 2012-07, Vol.82 (7), p.1254-1262

2012

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Quantum-chemical study of effect of conjugation on structure and spectral properties of C105 sensitizing dye

Optics and spectroscopy, 2011-03, Vol.110 (3), p.393-400

2011

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Quantum-chemical modelling radiation damage of DNA components during inelastic interaction with slow electrons. Desoxyribose irradiation

Biopolimery i kletka, 2005, Vol.21 (4), p.351-357

2005

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

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

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

Fragmentation of the adenine and guanine molecules induced by electron collisions

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

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

The Electronic Structure and Spectra of Triphenylamines Functionalized by Phenylethynyl Groups

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

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

Temperature effects in low-frequency Raman spectra of corticosteroid hormones

Features of terahertz adsorption and Raman scattering of mineralocorticoid hormones

Aromaticity and photophysics of tetrasila- and tetragerma-annelated tetrathienylenes as new representatives of the hetero[8]circulene familyElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp01608b

Experimental and theoretical study of IR and Raman spectra of tetraoxa[8]circulenes

Solvatochromic effect in absorption and emission spectra of star-shaped bipolar derivatives of 1,3,5-triazine and carbazole. A time-dependent density functional study

DFT study on the Raman spectra of Fe(II)-porphin

Study on models of O2 binding to heme using density functional theory

Study of IR spectrum of the 17β-estradiol using quantum-chemical density functional theory

The effect of a heteroatom on the structure and vibrational spectra of Heteroannulated tetraphenylenes

A comparative study of the electronic structure and spectra of tetraoxa[8]circulene and octathio[8]circulene

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

Application of Bader’s atoms in molecules theory to the description of coordination bonds in the complex compounds of Ca2+ and Mg2+ with methylidene rhodanine and its anion

Quantum-chemical study of effect of conjugation on structure and spectral properties of C105 sensitizing dye

Quantum-chemical modelling radiation damage of DNA components during inelastic interaction with slow electrons. Desoxyribose irradiation

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