Publications by authors named "RA Evarestov"

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Ultrathin selenium nanorods from helical phases: a quantum chemical study using line group theory.
Vitaly V Porsev, Andrei V Bandura, Dmitry D Kuruch, Robert A Evarestov

Acta Crystallogr A Found Adv· November 2025

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Shift It to the Red: The Synthesis of Dicarbonyl Re(I) Complexes with Two Different Diimine Ligands and Near-Infrared Luminescence.
Aleksandra V Paderina, Kristina S Kisel, Vitaly V Porsev, Julia R Shakirova, Robert A Evarestov

Inorg Chem· October 2025

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Torsion and Axial Deformations of Chalcogen Helical Chains (S, Se, Te): First Principles Calculations Using Line Symmetry Groups.
Robert A Evarestov, Vitaly V Porsev, Dmitry D Kuruch, Polina Yu Cherezova

Nanomaterials (Basel)· March 2025

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Unusual Effects of the Metal Center Coordination Mode on the Photophysical Behavior of the Rhenium(I) and Rhenium(I)-Iridium(III) Complexes.
Kristina S Kisel, Julia R Shakirova, Vladimir V Pavlovskiy, Robert A Evarestov, Vladislav V Gurzhiy

Inorg Chem· November 2023

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DFT Study of WS-Based Nanotubes Electronic Properties under Torsion Deformations.
Anton V Domnin, Ilia E Mikhailov, Robert A Evarestov

Nanomaterials (Basel)· October 2023

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Current State of Computational Modeling of Nanohelicenes.
Vitaly V Porsev, Robert A Evarestov

Nanomaterials (Basel)· August 2023

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Nonsymmetric [Pt(C^N*N'^C')] Complexes: Aggregation-Induced Emission in the Solid State and in Nanoparticles Tuned by Ligand Structure.
Anastasia I Solomatina, Ekaterina E Galenko, Daria O Kozina, Alexey A Kalinichev, Vadim A Baigildin, Robert A Evarestov

Chemistry· November 2022

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Nonsymmetric [Pt(C^N*N'^C')] Complexes: Aggregation-Induced Emission in the Solid State and in Nanoparticles Tuned by Ligand Structure.
Anastasia I Solomatina, Ekaterina E Galenko, Daria O Kozina, Alexey A Kalinichev, Vadim A Baigildin, Robert A Evarestov

Chemistry· November 2022

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Spin splitting in monoperiodic systems described by magnetic line groups.
Sergei A Egorov, Daniel B Litvin, Andrei V Bandura, Robert A Evarestov

J Phys Condens Matter· June 2022

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Colossal Spin Splitting in the Monolayer of the Collinear Antiferromagnet MnF.
Sergei A Egorov, Robert A Evarestov

J Phys Chem Lett· March 2021

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Argentophillic interactions in argentum chalcogenides: First principles calculations and topological analysis of electron density.
Robert A Evarestov, Andrej I Panin, Yuri S Tverjanovich

J Comput Chem· February 2021

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Topological analysis of chemical bonding in the layered FePSe upon pressure-induced phase transitions.
Robert A Evarestov, Alexei Kuzmin

J Comput Chem· December 2020

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Origin of pressure-induced insulator-to-metal transition in the van der Waals compound FePS from first-principles calculations.
Robert A Evarestov, Alexei Kuzmin

J Comput Chem· May 2020

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Functionalized Pt(II) and Ir(III) NIR Emitters and Their Covalent Conjugates with Polymer-Based Nanocarriers.
Ilya S Kritchenkov, Daniil D Zhukovsky, Abdelrahman Mohamed, Viktor A Korzhikov-Vlakh, Tatiana B Tennikova, Robert A Evarestov

Bioconjug Chem· May 2020

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Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)] complexes based on the cyclometalating and diimine ligands of this type.
Anastasia I Solomatina, Kirill M Kuznetsov, Vladislav V Gurzhiy, Vladimir V Pavlovskiy, Vitaly V Porsev, Robert A Evarestov

Dalton Trans· May 2020

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First-Principles Calculations of Phonons and Thermodynamic Properties of Zr(Hf)S -Based Nanotubes.
Anton V Domnin, Andrei V Bandura, Robert A Evarestov

J Comput Chem· March 2020

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First-principles comparative study of perfect and defective CsPbX (X = Br, I) crystals.
R A Evarestov, E A Kotomin, A Senocrate, R K Kremer, J Maier

Phys Chem Chem Phys· February 2020

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The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server.
Gemma de la Flor, Danel Orobengoa, Robert A Evarestov, Yuri E Kitaev, Emre Tasci

J Appl Crystallogr· October 2019

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First-principles calculations of iodine-related point defects in CsPbI.
Robert A Evarestov, Alessandro Senocrate, Eugene A Kotomin, Joachim Maier

Phys Chem Chem Phys· April 2019

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First-Principles Evaluation of the Morphology of WS Nanotubes for Application as Visible-Light-Driven Water-Splitting Photocatalysts.
Sergei Piskunov, Oleg Lisovski, Yuri F Zhukovskii, Pavel N D'yachkov, Robert A Evarestov

ACS Omega· January 2019

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Temperature dependence of thermodynamic properties of MoS monolayer and single-wall nanotubes: Application of the developed three-body force field.
Andrei V Bandura, Sergey I Lukyanov, Robert A Evarestov

J Mol Graph Model· October 2018

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Infrared and Raman active vibrational modes in MoS -based nanotubes: Symmetry analysis and first-principles calculations.
Robert A Evarestov, Andrei V Bandura

J Comput Chem· October 2018

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Phonon spectra, electronic, and thermodynamic properties of WS nanotubes.
Robert A Evarestov, Andrei V Bandura, Vitaly V Porsev, Alexey V Kovalenko

J Comput Chem· November 2017

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First-principles calculations on Fe-Pt nanoclusters of various morphologies.
Alexander Platonenko, Sergei Piskunov, Dmitry Bocharov, Yuri F Zhukovskii, Robert A Evarestov

Sci Rep· September 2017

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First-principles calculations of oxygen interstitials in corundum: a site symmetry approach.
Robert A Evarestov, Alexander Platonenko, Denis Gryaznov, Yuri F Zhukovskii, Eugene A Kotomin

Phys Chem Chem Phys· September 2017

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