Publications by authors named "Sergey A Katsyuba"

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Structure and intermolecular interactions in ionic liquid 1-ethyl-3-methylimidazolium bromide and its aqueous solutions investigated by vibrational spectroscopy and quantum chemical computations.
Sergey A Katsyuba, Stefan Grimme

J Comput Chem· December 2024

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Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight.
Tatiana P Gerasimova, Almaz A Zagidullin, Anastasiia N Nikolaeva, Robert R Fayzullin, Aliya M Saitova, Sergey A Katsyuba

Org Biomol Chem· May 2024

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Computationally assisted vibrational spectroscopy of nucleic acid bases. 2. Thymine.
Sergey A Katsyuba, Timur I Burganov

Spectrochim Acta A Mol Biomol Spectrosc· March 2024

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Computational analysis of the vibrational spectra and structure of aqueous cytosine.
Sergey A Katsyuba, Timur I Burganov

Phys Chem Chem Phys· September 2023

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Supramolecular Optimization of Sensory Function of a Hemicurcuminoid through Its Incorporation into Phospholipid and Polymeric Polydiacetylenic Vesicles: Experimental and Computational Insight.
Bulat S Akhmadeev, Olga O Retyunskaya, Sergey N Podyachev, Sergey A Katsyuba, Aidar T Gubaidullin

Polymers (Basel)· January 2023

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Thermodynamics of trans/gauche conformational equilibria and vibrational spectra of 1,2-dihaloethanes in various media.
Sergey A Katsyuba, Tatiana P Gerasimova

J Chem Phys· November 2022

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Deep-Blue Emissive Copper(I) Complexes Based on P-Thiophenylethyl-Substituted Cyclic Bisphosphines Displaying Photoinduced Structural Transformations of the Excited States.
Igor D Strelnik, Irina Dayanova, Tatiana P Gerasimova, Sergey A Katsyuba, Ilya E Kolesnikov

Inorg Chem· October 2022

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What quantum chemical simulations tell us about the infrared spectra, structure and interionic interactions of a bulk ionic liquid.
Sergey A Katsyuba, Elena E Zvereva

Phys Chem Chem Phys· March 2022

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Computer-aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl solution.
Sergey A Katsyuba, Tatiana P Gerasimova, Sebastian Spicher, Fabian Bohle, Stefan Grimme

J Comput Chem· February 2022

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Revisiting conformations of methyl lactate in water and methanol.
Sergey A Katsyuba, Sebastian Spicher, Tatiana P Gerasimova, Stefan Grimme

J Chem Phys· July 2021

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Synthesis, structure, and electrochemical properties of 4,5-diaryl-1,2,3-triphosphaferrocenes and the first example of multi(phosphaferrocene).
Andrey V Petrov, Almaz A Zagidullin, Ilya A Bezkishko, Mikhail N Khrizanforov, Kirill V Kholin, Sergey A Katsyuba

Dalton Trans· December 2020

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Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.
Aliia V Shamsieva, Elvira I Musina, Tatiana P Gerasimova, Igor D Strelnik, Anna G Strelnik, Sergey A Katsyuba

Dalton Trans· September 2020

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Acid-Catalyzed Rearrangements of 3-Aryloxirane-2-Carboxamides: Novel DFT Mechanistic Insights.
Zheng-Wang Qu, Hui Zhu, Sergey A Katsyuba, Vera L Mamedova, Vakhid A Mamedov

ChemistryOpen· July 2020

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Fast and Accurate Quantum Chemical Modeling of Infrared Spectra of Condensed-Phase Systems.
Sergey A Katsyuba, Sebastian Spicher, Tatiana P Gerasimova, Stefan Grimme

J Phys Chem B· July 2020

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Characterization of Conjugation Effects in the Series of Quinoxaline-2-ones by Means of Vibrational Raman Spectroscopy.
Timur I Burganov, Sergey A Katsyuba, Liliya N Islamova, Guzel M Fazleeva, Sirina M Sharipova

J Phys Chem A· May 2020

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One-Electron Reduction of Acenaphthene-1,2-Diimine Nickel(II) Complexes.
Vera V Khrizanforova, Robert R Fayzullin, Vladimir I Morozov, Ildar F Gilmutdinov, Anton N Lukoyanov, Sergey A Katsyuba

Chem Asian J· September 2019

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2,3-(Dibenzimidazol-2-yl)quinoxalines: Unexpected Dynamical Effect on Steady-State Electronic Absorption Spectra.
Timur I Burganov, Antonio Monari, Sergey A Katsyuba, Vakhid A Mamedov, Nataliya A Zhukova

J Phys Chem B· July 2019

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Intriguing Near-Infrared Solid-State Luminescence of Binuclear Silver(I) Complexes Based on Pyridylphospholane Scaffolds.
Aliia V Shamsieva, Elvira I Musina, Tatiana P Gerasimova, Robert R Fayzullin, Ilya E Kolesnikov, Sergey A Katsyuba

Inorg Chem· June 2019

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Fast Quantum Chemical Simulations of Infrared Spectra of Organic Compounds with the B97-3c Composite Method.
Sergey A Katsyuba, Elena E Zvereva, Stefan Grimme

J Phys Chem A· May 2019

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The Assembly of Unique Hexanuclear Copper(I) Complexes with Effective White Luminescence.
Igor D Strelnik, Irina R Dayanova, Ilya E Kolesnikov, Robert R Fayzullin, Igor A Litvinov, Sergey A Katsyuba

Inorg Chem· January 2019

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Leaching from Palladium Nanoparticles in an Ionic Liquid Leads to the Formation of Ionic Monometallic Species.
Elena E Zvereva, Sergey A Katsyuba, Paul J Dyson, Alexey V Aleksandrov

J Phys Chem Lett· August 2017

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Benzimidazolylquinoxalines: novel fluorophores with tuneable sensitivity to solvent effects.
Timur I Burganov, Nataliya A Zhukova, Vakhid A Mamedov, Christoph Bannwarth, Stefan Grimme, Sergey A Katsyuba

Phys Chem Chem Phys· February 2017

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A Rhodium Nanoparticle-Lewis Acidic Ionic Liquid Catalyst for the Chemoselective Reduction of Heteroarenes.
Alena Karakulina, Aswin Gopakumar, İsmail Akçok, Bastien L Roulier, Thomas LaGrange, Sergey A Katsyuba

Angew Chem Int Ed Engl· January 2016

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Quantification of Conventional and Nonconventional Charge-Assisted Hydrogen Bonds in the Condensed and Gas Phases.
Sergey A Katsyuba, Mikhail V Vener, Elena E Zvereva, Zhaofu Fei, Rosario Scopelliti

J Phys Chem Lett· November 2015

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Synthesis and magnetic properties of manganese carbonyl complexes with different coordination modes of 3,4,5-triaryl-1,2-diphospholide ligands.
Vasili A Miluykov, Ilya A Bezkishko, Liliya R Kochetkova, Olga N Kataeva, Tatiana P Gerasimova, Sergey A Katsyuba

Dalton Trans· June 2015

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