Sergey Katsyuba

21PUBLICATIONS
29CO-AUTHORS
Chemical thermodynamics and energeticsNonlinear optics and spectroscopyTheoretical quantum chemistryMolecular imaging (incl. electron microscopy and neutron diffraction)Transition metal chemistry
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Publications (21)

|Sep 18, 2026
Structural flexibility and hydrogen bonding of aqueous vitamin C: Raman and UV spectroscopic and computational insights.

|Sep 04, 2026
Vibrational Spectra, Conformations, and Optical Rotation of Aqueous Amino Acids: Zwitterions of L-Alanine and L-Valine.

|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

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Frequent Collaborators

8 joint publications

Stefan Grimme

6 joint publications

Tatiana P Gerasimova

6 joint publications

Timur I Burganov

4 joint publications

Robert R Fayzullin