Sergey A Katsyuba (Sergei Katsyuba, Sergey Katsyuba)

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 21

Top Topics

Density Functional Theory

Energy Transfer

Top Venues

Physical chemistry chemical physics : PCCP

Inorganic chemistry

The journal of physical chemistry. B

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Tatyana P Gerasimova, Almaz A Zagidullin, Anastasiia N Nikolaeva, Robert R Fayzullin, Aliya M Saitova, Vasili A Milyukov, Stefan Grimme, Sergey A Katsyuba
Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight. Organic & biomolecular chemistry (2024)
Tatyana P Gerasimova, Almaz A Zagidullin, Anastasiia N Nikolaeva, Robert R Fayzullin, Aliya M Saitova, Vasili A Milyukov, Stefan Grimme, Sergey A Katsyuba
Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight. Organic & biomolecular chemistry 22 (18) (2024)
Sergey A Katsyuba, Stefan Grimme
Structure and intermolecular interactions in ionic liquid 1-ethyl-3-methylimidazolium bromide and its aqueous solutions investigated by vibrational spectroscopy and quantum chemical computations. Journal of computational chemistry (2024)
Sergey A Katsyuba, Timur I Burganov
Computational analysis of the vibrational spectra and structure of aqueous cytosine. Physical chemistry chemical physics : PCCP (2023)
Igor D Strelnik, Irina R Dayanova, Tatiana P Gerasimova, Sergey A Katsyuba, Ilya E Kolesnikov, Alexey Kalinichev, Artemiy Shmelev, Daut R Islamov, Peter Lönnecke, Evamarie Hey-Hawkins, Elvira I Musina, Andrey A Karasik
Deep-Blue Emissive Copper(I) Complexes Based on P-Thiophenylethyl-Substituted Cyclic Bisphosphines Displaying Photoinduced Structural Transformations of the Excited States. Inorganic chemistry 61 (42) (2022)
Sergey A Katsyuba, Tatyana P Gerasimova
Thermodynamics of trans/gauche conformational equilibria and vibrational spectra of 1,2-dihaloethanes in various media. The Journal of chemical physics 157 (20) (2022)
Sergey A Katsyuba, Elena E Zvereva
What quantum chemical simulations tell us about the infrared spectra, structure and interionic interactions of a bulk ionic liquid. Physical chemistry chemical physics : PCCP 24 (12) (2022)
Sergey A Katsyuba, Sebastian Spicher, Tatyana P Gerasimova, Stefan Grimme
Revisiting conformations of methyl lactate in water and methanol. The Journal of chemical physics 155 (2) (2021)
Sergey A Katsyuba, Tatiana P Gerasimova, Sebastian Spicher, Fabian Bohle, Stefan Grimme
Computer-aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution. Journal of computational chemistry (2021)
Zheng-Wang Qu, Hui Zhu, Sergey A Katsyuba, Vera L Mamedova, Vakhid A Mamedov, Stefan Grimme
Acid-Catalyzed Rearrangements of 3-Aryloxirane-2-Carboxamides: Novel DFT Mechanistic Insights. ChemistryOpen 9 (7) (2020)
Sergey A Katsyuba, Sebastian Spicher, Tatiana P Gerasimova, Stefan Grimme
Fast and Accurate Quantum Chemical Modeling of Infrared Spectra of Condensed-Phase Systems. The journal of physical chemistry. B 124 (30) (2020)
Andrey V Petrov, Almaz A Zagidullin, Ilya A Bezkishko, Mikhail N Khrizanforov, Kirill V Kholin, Tatyana P Gerasimova, Kamil A Ivshin, Ruslan P Shekurov, Sergey A Katsyuba, Olga N Kataeva, Yulia H Budnikova, Vasili A Miluykov
Synthesis, structure, and electrochemical properties of 4,5-diaryl-1,2,3-triphosphaferrocenes and the first example of multi(phosphaferrocene). Dalton transactions (Cambridge, England : 2003) (2020)
Timur I Burganov, Sergey A Katsyuba, Liliya N Islamova, Guzel M Fazleeva, Sirina M Sharipova, Alexey A Kalinin, Alexey B Dobrynin, Antonio Monari, Xavier Assfeld
Characterization of Conjugation Effects in the Series of Quinoxaline-2-ones by Means of Vibrational Raman Spectroscopy. The journal of physical chemistry. A 124 (19) (2020)
Vera V Khrizanforova, Robert R Fayzullin, Vladimir I Morozov, Ildar F Gilmutdinov, Anton N Lukoyanov, Olga N Kataeva, Tatyana P Gerasimova, Sergey A Katsyuba, Igor L Fedushkin, Konstantin A Lyssenko, Yulia H Budnikova
One-Electron Reduction of Acenaphthene-1,2-Diimine Nickel(II) Complexes. Chemistry, an Asian journal 14 (17) (2019)
Sergey A Katsyuba, Elena E Zvereva, Stefan Grimme
Fast Quantum Chemical Simulations of Infrared Spectra of Organic Compounds with the B97-3c Composite Method. The journal of physical chemistry. A 123 (17) (2019)
Timur I Burganov, Antonio Monari, Sergey A Katsyuba, Vakhid A Mamedov, Nataliya A Zhukova, Xavier Assfeld
2,3-(Dibenzimidazol-2-yl)quinoxalines: Unexpected Dynamical Effect on Steady-State Electronic Absorption Spectra. The journal of physical chemistry. B 123 (26) (2019)
Igor D Strelnik, Irina R Dayanova, Ilya E Kolesnikov, Robert R Fayzullin, Igor A Litvinov, Aida I Samigullina, Tatiana P Gerasimova, Sergey A Katsyuba, Elvira I Musina, Andrey A Karasik
The Assembly of Unique Hexanuclear Copper(I) Complexes with Effective White Luminescence. Inorganic chemistry 58 (2) (2019)
Aliia V Shamsieva, Elvira I Musina, Tatiana P Gerasimova, Robert R Fayzullin, Ilya E Kolesnikov, Aida I Samigullina, Sergey A Katsyuba, Andrey A Karasik, Oleg G Sinyashin
Intriguing Near-Infrared Solid-State Luminescence of Binuclear Silver(I) Complexes Based on Pyridylphospholane Scaffolds. Inorganic chemistry 58 (12) (2019)
Martin Hulla, Daniel Ortiz, Sergey A Katsyuba, Dmitry Vasilyev, Paul J Dyson
Delineation of the Critical Parameters of Salt Catalysts in the N-Formylation of Amines with CO2. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (47) (2019)
Vadim V Ermolaev, Tatiana Gerasimova, Liliya Kadyrgulova, Ruslan Shekurov, Egor Dolengovski, Aleksandr Kononov, Vasili A Milyukov, Oleg Sinyashin, Sergey A Katsyuba, Yulia H Budnikova, Mikhail N Khrizanforov
Ferrocene-Containing Sterically Hindered Phosphonium Salts. Molecules (Basel, Switzerland) 23 (11) (2018)
Timur I Burganov, Nataliya A Zhukova, Vakhid A Mamedov, Christoph Bannwarth, Stefan Grimme, Sergey A Katsyuba
Benzimidazolylquinoxalines: novel fluorophores with tuneable sensitivity to solvent effects. Physical chemistry chemical physics : PCCP 19 (8) (2018)