Sergey Katsyuba

19PUBLICATIONS
27CO-AUTHORS
Theoretical quantum chemistryMolecular imaging (incl. electron microscopy and neutron diffraction)Chemical thermodynamics and energeticsTransition metal chemistryStatistical mechanics in chemistry
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Publications (19)

|Apr 08, 2026
Efficient computational modeling of Raman spectra of liquids and solutions.

Sergey A Katsyuba, Tatiana P Gerasimova, Timur I Burganov

|Aug 14, 2024
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

|Apr 16, 2024
Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight.

Tatiana P Gerasimova, Almaz A Zagidullin, Anastasiia N Nikolaeva

|Sep 01, 2023
Computational analysis of the vibrational spectra and structure of aqueous cytosine.

Sergey A Katsyuba, Timur I Burganov

|Dec 01, 2022
Thermodynamics of trans/gauche conformational equilibria and vibrational spectra of 1,2-dihaloethanes in various media.

Sergey A Katsyuba, Tatiana P Gerasimova

|Oct 13, 2022
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

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Frequent Collaborators

6 joint publications

Stefan Grimme

4 joint publications

Tatiana P Gerasimova

4 joint publications

Robert R Fayzullin

4 joint publications

Timur I Burganov