Sergey A Katsyuba

Affiliations

Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Centre of RAS, Arbuzov st. 8, 420088 Kazan, Russia.

ORCID: 0000000191969308

Publications (21)

Revisiting conformations of methyl lactate in water and methanol.

The Journal of chemical physics

Avec: Sebastian Spicher , Tatiana P Gerasimova , Stefan Grimme

What quantum chemical simulations tell us about the infrared spectra, structure and interionic interactions of a bulk ionic liquid.

Physical chemistry chemical physics : PCCP

Avec: Elena E Zvereva

Supramolecular Optimization of Sensory Function of a Hemicurcuminoid through Its Incorporation into Phospholipid and Polymeric Polydiacetylenic Vesicles: Experimental and Computational Insight.

Polymers

Avec: Bulat S Akhmadeev , Olga O Retyunskaya , Sergey N Podyachev , Aidar T Gubaidullin , Svetlana N Sudakova , Victor V Syakaev , Vasily M Babaev , Oleg G Sinyashin , Asiya R Mustafina

Computational analysis of the vibrational spectra and structure of aqueous cytosine.

Physical chemistry chemical physics : PCCP

Avec: Timur I Burganov

Acid-Catalyzed Rearrangements of 3-Aryloxirane-2-Carboxamides: Novel DFT Mechanistic Insights.

ChemistryOpen

Avec: Zheng-Wang Qu , Hui Zhu , Vera L Mamedova , Vakhid A Mamedov , Stefan Grimme

Computationally assisted vibrational spectroscopy of nucleic acid bases. 2. Thymine.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Avec: Timur I Burganov

Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight.

Organic & biomolecular chemistry

Avec: Tatiana P Gerasimova , Almaz A Zagidullin , Anastasiia N Nikolaeva , Robert R Fayzullin , Aliya M Saitova , Vasili A Miluykov , Stefan Grimme ,

Thermodynamics of trans/gauche conformational equilibria and vibrational spectra of 1,2-dihaloethanes in various media.

The Journal of chemical physics

Avec: Tatiana P Gerasimova

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)

Avec: Andrey V Petrov , Almaz A Zagidullin , Ilya A Bezkishko , Mikhail N Khrizanforov , Kirill V Kholin , Tatiana P Gerasimova , Kamil A Ivshin , Ruslan P Shekurov , Olga N Kataeva , Yulia H Budnikova , Vasili A Miluykov

Triple-bridged helical binuclear copper(i) complexes: Head-to-head and head-to-tail isomerism and the solid-state luminescence.

Dalton transactions (Cambridge, England : 2003)

Avec: Aliia V Shamsieva , Elvira I Musina , Tatiana P Gerasimova , Igor D Strelnik , Anna G Strelnik , Ilya E Kolesnikov , Alexey A Kalinichev , Daut R Islamov , Aida I Samigullina , Peter Lönnecke , Evamarie Hey-Hawkins , Andrey A Karasik , Oleg G Sinyashin

Computer-aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl

Journal of computational chemistry

Avec: Tatiana P Gerasimova , Sebastian Spicher , Fabian Bohle , Stefan Grimme

Temperature-sensitive emission of dialkylaminostyrylhetarene dyes and their incorporation into phospholipid aggregates: Applicability for thermal sensing and cellular uptake behavior.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Avec: B S Akhmadeev , T P Gerasimova , A R Gilfanova , S A Katsyuba , L N Islamova , G M Fazleeva , A A Kalinin , A G Daminova , S V Fedosimova , S K Amerhanova , A D Voloshina , E G Tanysheva , O G Sinyashin , A R Mustafina

Characterization of Conjugation Effects in the Series of Quinoxaline-2-ones by Means of Vibrational Raman Spectroscopy.

The journal of physical chemistry. A

Avec: Timur I Burganov , Liliya N Islamova , Guzel M Fazleeva , Sirina M Sharipova , Alexey A Kalinin , Alexey B Dobrynin , Antonio Monari , Xavier Assfeld

Intriguing Near-Infrared Solid-State Luminescence of Binuclear Silver(I) Complexes Based on Pyridylphospholane Scaffolds.

Inorganic chemistry

Avec: Aliia V Shamsieva , Elvira I Musina , Tatiana P Gerasimova , Robert R Fayzullin , Ilya E Kolesnikov , Aida I Samigullina , Andrey A Karasik , Oleg G Sinyashin

Fast Quantum Chemical Simulations of Infrared Spectra of Organic Compounds with the B97-3c Composite Method.

The journal of physical chemistry. A

Avec: Elena E Zvereva , Stefan Grimme

2,3-(Dibenzimidazol-2-yl)quinoxalines: Unexpected Dynamical Effect on Steady-State Electronic Absorption Spectra.

The journal of physical chemistry. B

Avec: Timur I Burganov , Antonio Monari , Vakhid A Mamedov , Nataliya A Zhukova , Xavier Assfeld

Fast and Accurate Quantum Chemical Modeling of Infrared Spectra of Condensed-Phase Systems.

The journal of physical chemistry. B

Avec: Sebastian Spicher , Tatiana P Gerasimova , Stefan Grimme

The Assembly of Unique Hexanuclear Copper(I) Complexes with Effective White Luminescence.

Inorganic chemistry

Avec: Igor D Strelnik , Irina R Dayanova , Ilya E Kolesnikov , Robert R Fayzullin , Igor A Litvinov , Aida I Samigullina , Tatiana P Gerasimova , Elvira I Musina , Andrey A Karasik

One-Electron Reduction of Acenaphthene-1,2-Diimine Nickel(II) Complexes.

Chemistry, an Asian journal

Avec: Vera V Khrizanforova , Robert R Fayzullin , Vladimir I Morozov , Ildar F Gilmutdinov , Anton N Lukoyanov , Olga N Kataeva , Tatiana P Gerasimova , Igor L Fedushkin , Konstantin A Lyssenko , Yulia H Budnikova

Deep-Blue Emissive Copper(I) Complexes Based on P-Thiophenylethyl-Substituted Cyclic Bisphosphines Displaying Photoinduced Structural Transformations of the Excited States.

Inorganic chemistry

Avec: Igor D Strelnik , Irina Dayanova , Tatiana P Gerasimova , Ilya E Kolesnikov , Alexey Kalinichev , Artemiy Shmelev , Daut R Islamov , Peter Lönnecke , Evamarie Hey-Hawkins , Elvira I Musina , Andrey A Karasik

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

Avec: Stefan Grimme

Réseau de co-auteurs

Tatiana P Gerasimova 11 collaborations

Stefan Grimme 7 collaborations

Timur I Burganov 4 collaborations

Robert R Fayzullin 4 collaborations

Elvira I Musina 4 collaborations

Ilya E Kolesnikov 4 collaborations

Andrey A Karasik 4 collaborations

Sebastian Spicher 3 collaborations

Oleg G Sinyashin 3 collaborations

Igor D Strelnik 3 collaborations

Aida I Samigullina 3 collaborations

Elena E Zvereva 2 collaborations

Vakhid A Mamedov 2 collaborations

Almaz A Zagidullin 2 collaborations

Vasili A Miluykov 2 collaborations

Olga N Kataeva 2 collaborations

Yulia H Budnikova 2 collaborations

Aliia V Shamsieva 2 collaborations

Daut R Islamov 2 collaborations

Peter Lönnecke 2 collaborations

Evamarie Hey-Hawkins 2 collaborations

Antonio Monari 2 collaborations

Xavier Assfeld 2 collaborations

Bulat S Akhmadeev 1 collaboration

Olga O Retyunskaya 1 collaboration

Sergey N Podyachev 1 collaboration

Aidar T Gubaidullin 1 collaboration

Svetlana N Sudakova 1 collaboration

Victor V Syakaev 1 collaboration

Vasily M Babaev 1 collaboration

Asiya R Mustafina 1 collaboration

Zheng-Wang Qu 1 collaboration

Hui Zhu 1 collaboration

Vera L Mamedova 1 collaboration

Anastasiia N Nikolaeva 1 collaboration

Aliya M Saitova 1 collaboration

Andrey V Petrov 1 collaboration

Ilya A Bezkishko 1 collaboration

Mikhail N Khrizanforov 1 collaboration

Kirill V Kholin 1 collaboration

Kamil A Ivshin 1 collaboration

Ruslan P Shekurov 1 collaboration

Anna G Strelnik 1 collaboration

Alexey A Kalinichev 1 collaboration

Fabian Bohle 1 collaboration

B S Akhmadeev 1 collaboration

T P Gerasimova 1 collaboration

A R Gilfanova 1 collaboration

S A Katsyuba 1 collaboration

L N Islamova 1 collaboration

G M Fazleeva 1 collaboration

A A Kalinin 1 collaboration

A G Daminova 1 collaboration

S V Fedosimova 1 collaboration

S K Amerhanova 1 collaboration

A D Voloshina 1 collaboration

E G Tanysheva 1 collaboration

O G Sinyashin 1 collaboration

A R Mustafina 1 collaboration

Liliya N Islamova 1 collaboration

Guzel M Fazleeva 1 collaboration

Sirina M Sharipova 1 collaboration

Alexey A Kalinin 1 collaboration

Alexey B Dobrynin 1 collaboration

Nataliya A Zhukova 1 collaboration

Irina R Dayanova 1 collaboration

Igor A Litvinov 1 collaboration

Vera V Khrizanforova 1 collaboration

Vladimir I Morozov 1 collaboration

Ildar F Gilmutdinov 1 collaboration

Anton N Lukoyanov 1 collaboration

Igor L Fedushkin 1 collaboration

Konstantin A Lyssenko 1 collaboration

Irina Dayanova 1 collaboration

Alexey Kalinichev 1 collaboration

Artemiy Shmelev 1 collaboration