S. Katsyuba

发表

Mass spectrometric and theoretical study of polyiodides: the connection between solid state, solution, and gas phases.

Zhaofu Fei, P. Dyson, M. Groessl, 2011, Inorganic chemistry.

Ab initio and DFT predictions of infrared intensities and Raman activities.

S. Katsyuba, E. Zvereva, A. Shagidullin, 2011, The journal of physical chemistry. A.

Quantification of Conventional and Nonconventional Charge-Assisted Hydrogen Bonds in the Condensed and Gas Phases.

R. Scopelliti, Zhaofu Fei, P. Dyson, 2015, The journal of physical chemistry letters.

Complex formation of d-metal ions at the interface of Tb(III)-doped silica nanoparticles as a basis of substrate-responsive Tb(III)-centered luminescence.

S. Katsyuba, A. Konovalov, A. Mustafina, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

A simple physical model for the simultaneous rationalisation of melting points and heat capacities of ionic liquids.

P. Dyson, S. Katsyuba, E. Zvereva, 2010, Physical chemistry chemical physics : PCCP.

Quantum chemical investigation of the structures of ionic liquids based on 1-ethyl-3-methylimidazolium halides: IR spectra and hydrogen bonds

S. Katsyuba, E. Zvereva, 2009 .

Application of density functional theory and vibrational spectroscopy toward the rational design of ionic liquids.

P. Dyson, S. Katsyuba, E. Zvereva, 2007, The journal of physical chemistry. A.

Revisiting ether-derivatized imidazolium-based ionic liquids.

R. Scopelliti, Zhaofu Fei, P. Dyson, 2007, The journal of physical chemistry. B.

Composite materials containing chromophores with 3,7-(di)vinylquinoxalinone π-electron bridge doped into PMMA: Atomistic modeling and measurements of quadratic nonlinear optical activity

S. Katsyuba, I. Nizameev, T. A. Vakhonina, 2018, Dyes and Pigments.

Unexpected ligand effect on the catalytic reaction rate acceleration for hydrogen production using biomimetic nickel electrocatalysts with 1,5-diaza-3,7-diphosphacyclooctanes

S. Katsyuba, O. Sinyashin, M. Khrizanforov, 2015 .

Leaching from Palladium Nanoparticles in an Ionic Liquid Leads to the Formation of Ionic Monometallic Species.

P. Dyson, S. Katsyuba, E. Zvereva, 2017, The journal of physical chemistry letters.

D-π-A'-π-A chromophores with quinoxaline core in the π-electron bridge and charged heterocyclic acceptor moiety: Synthesis, DFT calculations, photophysical and electro-chemical properties

S. Katsyuba, S. Sharipova, O. D. Fominykh, 2020 .

Large nonlinear optical activity of chromophores with divinylquinoxaline conjugated π-bridge

S. Katsyuba, T. A. Vakhonina, S. Sharipova, 2019, Journal of Photochemistry and Photobiology A: Chemistry.

High thermally stable D–π–A chromophores with quinoxaline moieties in the conjugated bridge: Synthesis, DFT calculations and physical properties

S. Katsyuba, S. Sharipova, M. Balakina, 2018, Dyes and Pigments.

Synthesis and photophysical properties of 2,3,4,5-tetraphenyl-1-n-octyl-1-monophosphole

S. Katsyuba, A. Zagidullin, A. Petrov, 2019, Russian Chemical Bulletin.

DFT study of substitution effect on the geometry, IR spectra, spin state and energetic stability of the ferrocenes and their pentaphospholyl analogues

S. Katsyuba, O. Sinyashin, T. Gryaznova, 2010 .

Phosphonium ionic liquids based on bulky phosphines: synthesis, structure and properties.

S. Katsyuba, O. Sinyashin, I. Rizvanov, 2010, Dalton transactions.

Intricacies of Cation-Anion Combinations in Imidazolium Salt-Catalyzed Cycloaddition of CO2 Into Epoxides

P. Dyson, Felix D. Bobbink, M. Hulla, 2018 .

Push–pull isomeric chromophores with vinyl- and divinylquinoxaline-2-one units as π-electron bridge: Synthesis, photophysical, thermal and electro-chemical properties

S. Katsyuba, S. Sharipova, M. Balakina, 2017 .

Isomeric indolizine-based π-expanded push–pull NLO-chromophores: Synthesis and comparative study

S. Katsyuba, M. Balakina, Y. Budnikova, 2018 .

Synthesis and magnetic properties of manganese carbonyl complexes with different coordination modes of 3,4,5-triaryl-1,2-diphospholide ligands.

E. Hey‐Hawkins, S. Katsyuba, P. Lönnecke, 2015, Dalton transactions.

Novel amphiphilic conjugates of p-tert-butylthiacalix[4]arene with 10,12-pentacosadiynoic acid in 1,3-alternate stereoisomeric form. Synthesis and chromatic properties in the presence of metal ions

S. Katsyuba, S. Solovieva, V. Evtugyn, 2018 .

Switching Ion Binding Selectivity of Thiacalix[4]arene Monocrowns at Liquid–Liquid and 2D-Confined Interfaces

S. Katsyuba, S. Solovieva, I. Antipin, 2021, International journal of molecular sciences.

13,17,53,57-Tetraphenyl-13,17,53,57-tetrathio-3,7-dithia-1,5(1,5)-di(1,5-diaza-3,7-diphosphacyclooctana)-2,4,6,8(1,4)-tetrabenzenacyclooctaphane with an unusual conical-like conformation

S. Katsyuba, A. Gubaidullin, O. Sinyashin, 2008 .

IR and UV study of reversible water-induced structural transformations of poly(manganese 1,1′-ferrocenediyl-bis( H -phosphinate)) and poly(cobalt 1,1′-ferrocenediyl-bis( H -phosphinate))

S. Katsyuba, O. Sinyashin, M. Khrizanforov, 2018, Journal of Molecular Structure.

Reversible Water-Induced Structural and Magnetic Transformations and Selective Water Adsorption Properties of Poly(manganese 1,1′-ferrocenediyl-bis(H-phosphinate))

S. Kaskel, I. Senkovska, S. Katsyuba, 2016 .

IR and NMR spectra, intramolecular hydrogen bonding and conformations of para-tert-butyl-aminothiacalix[4]arene in solid state and chloroform solution.

S. Katsyuba, S. Solovieva, A. Konovalov, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

IR and NMR spectra, intramolecular hydrogen bonding and conformations of mercaptothiacalix[4]arene molecules and their para-tert-butyl-derivative

S. Katsyuba, S. Solovieva, A. Konovalov, 2008 .

Conjugation effects and optical spectra of 1,2-diphosphole cycloadducts

S. Katsyuba, O. Sinyashin, E. Zvereva, 2015, Russian Chemical Bulletin.

A Rhodium Nanoparticle-Lewis Acidic Ionic Liquid Catalyst for the Chemoselective Reduction of Heteroarenes.

P. Dyson, Shoubhik Das, S. Katsyuba, 2016, Angewandte Chemie.

IR and Raman spectra, hydrogen bonds, and conformations of N-(2-hydroxyethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyrimidine (drug Xymedone)

S. Katsyuba, E. Zvereva, V. Kovalenko, 2012, Russian Chemical Bulletin.

Spectral study of the molecular structure of some 2-methylthio-6-methyl-4-alkyl- and alkylaminopyrimidines

S. Katsyuba, A. Shagidullin, V. Reznik, 2011 .

Synthesis, structure, and transition metal complexes of amphiphilic 1,5‐diaza‐3,7‐diphosphacyclooctanes

G. P. Belov, E. Hey‐Hawkins, S. Katsyuba, 2006 .

Vibrational spectra, force constants and conformations of molecules of trivalent tricoordinate phosphorus compounds

S. Katsyuba, 2001 .

The hydrogen bonding and tautomerism of pyrimidine containing macrocycles. IR, UV and quantum chemical studies

J. Lii, S. Katsyuba, V. Kataev, 2004 .

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

E. Hey‐Hawkins, S. Katsyuba, P. Lönnecke, 2022, Inorganic chemistry.

Nonlinear optical activity of push–pull indolizine-based chromophores with various acceptor moieties

S. Katsyuba, I. Nizameev, M. Balakina, 2018, Journal of Photochemistry and Photobiology A: Chemistry.

A novel acid-catalyzed rearrangement of 2-substituted-3-(2-nitrophenyl)oxiranes for the synthesis of di- and mono-oxalamides

S. Katsyuba, V. Mamedov, S. Latypov, 2016 .

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

K. Lyssenko, I. Gilmutdinov, S. Katsyuba, 2019, Chemistry, an Asian journal.

Zn and Co redox active coordination polymers as efficient electrocatalysts.

S. Kaskel, I. Senkovska, S. Katsyuba, 2019, Dalton transactions.

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

S. Grimme, S. Katsyuba, V. Mamedov, 2020, ChemistryOpen.

One-pot synthesis of aryl-substituted 1,2,3-triphospholide anions

S. Katsyuba, O. Sinyashin, A. Zagidullin, 2017 .

Stimuli-responsive emission of quinoxalinone-based compounds. From experimental findings to theoretical insight by means of multiscale computational spectroscopy approaches

S. Katsyuba, X. Assfeld, A. Monari, 2021 .

To what extent are the photophysical properties of quinoxaline- and quinoxalinone-based chromophores predictable?

S. Katsyuba, X. Assfeld, A. Monari, 2019, Dyes and Pigments.

Novel quinoxalinone-based push-pull chromophores with highly sensitive emission and absorption properties towards small structural modifications.

S. Katsyuba, X. Assfeld, A. Monari, 2018, Physical chemistry chemical physics : PCCP.

In situ electrochemical synthesis of Ni(I) complexes with aminomethylphosphines as intermediates for hydrogen evolution

S. Katsyuba, S. Latypov, O. Sinyashin, 2017 .

Fresh Look on the Nature of Dual-Band Emission of Octahedral Copper-Iodide Clusters—Promising Ratiometric Luminescent Thermometers

S. Katsyuba, I. Kolesnikov, E. Lähderanta, 2019, The Journal of Physical Chemistry C.

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

S. Katsyuba, A. Samigullina, I. Kolesnikov, 2019, Inorganic chemistry.

Pyridyl Containing 1,5‐Diaza‐3,7‐diphosphacyclooctanes as Bridging Ligands for Dinuclear Copper(I) Complexes

C. Bannwarth, S. Grimme, S. Katsyuba, 2017 .

Synthesis and Stereoselective Interconversion of Chiral 1‐Aza‐3,6‐diphosphacycloheptanes

E. Hey‐Hawkins, S. Katsyuba, P. Lönnecke, 2012 .

Benzimidazolylquinoxalines: novel fluorophores with tuneable sensitivity to solvent effects.

C. Bannwarth, S. Grimme, S. Katsyuba, 2017, Physical chemistry chemical physics : PCCP.

Bipyridine and phenanthroline IR-spectral bands as indicators of metal spin state in hexacoordinated complexes of Fe(II), Ni(II) and Co(II).

S. Katsyuba, T. Gerasimova, 2013, Dalton transactions.

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

S. Katsyuba, N. Zhukova, V. Mamedov, 2019, The journal of physical chemistry. B.

Synthesis of novel pyridyl containing phospholanes and their polynuclear luminescent copper(i) complexes.

C. Bannwarth, S. Grimme, S. Katsyuba, 2016, Dalton transactions.

Novel enantiopure monophospholes: synthesis, spatial and electronic structure, photophysical characteristics and conjugation effects.

S. Katsyuba, A. Zagidullin, V. Miluykov, 2018, Dalton transactions.

Vibrational spectroscopy of tri- and tetra-coordinated phosphorus compounds

S. Katsyuba, 1999 .

Structural information content of the stretching vibration frequencies of PN and PO bonds in five-membered heterocyclic compounds

S. Katsyuba, O. N. Nuretdinova, R. R. Shagidullin, 1985 .

Germylene complexes of tungsten pentacarbonyls W(CO)5GeCl2 and W(CO)5GeW(CO)5: Electrochemical synthesis and quantum-chemical computations

M. Egorov, S. Katsyuba, O. Sinyashin, 2007 .

Synthesis and structure of ferrocenylphosphinic acids

S. Katsyuba, V. V. Yanilkin, O. Sinyashin, 2014 .

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

S. Katsyuba, A. Samigullina, I. Kolesnikov, 2019, Inorganic chemistry.

Synthesis, structure, and electrochemical properties of 4,5-diaryl-1,2,3-triphosphaferrocenes and the first example of multi(phosphaferrocene).

S. Katsyuba, M. Khrizanforov, Y. Budnikova, 2020, Dalton transactions.

Thermally Stable Nitrothiacalixarene Chromophores: Conformational Study and Aggregation Behavior

S. Katsyuba, S. Solovieva, I. Rizvanov, 2020, International journal of molecular sciences.

Synthesis, X-ray crystal structure and quantum-chemical study of new dinuclear cobalt complex {Co2[mmm-O2P(H)Mes]2(bpy)4}Br2

S. Katsyuba, O. Sinyashin, A. Dobrynin, 2013 .

Reversible temperature-responsible emission in solutions within 293–333 K produced by dissociative behavior of multinuclear Cu(I) complexes with aminomethylphosphines

S. Katsyuba, A. Mustafina, J. Elistratova, 2019 .

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

E. Hey‐Hawkins, S. Katsyuba, P. Lönnecke, 2020, Dalton transactions.

The first representatives of tetranuclear gold(i) complexes of P,N-containing cyclophanes.

S. Katsyuba, O. Sinyashin, A. Karasik, 2018, Dalton transactions.

“Host–guest” binding of a luminescent dinuclear Au(I) complex based on cyclic diphosphine with organic substrates as a reason for luminescence tuneability

S. Katsyuba, A. Mustafina, O. Sinyashin, 2016 .

Novel water soluble cationic Au(I) complexes with cyclic PNNP ligand as building blocks for heterometallic supramolecular assemblies with anionic hexarhenium cluster units

K. Brylev, M. Shestopalov, S. Katsyuba, 2017 .

Study of the structures and photophysical properties of 1,3-diaza-5-phosphacyclohexanes using density functional theory and optical spectroscopy

S. Katsyuba, O. Sinyashin, A. Karasik, 2020, Russian Chemical Bulletin.

Rearrangement of two 8-membered 1,5-diaza-3,7-diphosphacyclooctane rings into 16-membered P4N4 ligand on the gold(i) template

S. Katsyuba, O. Sinyashin, A. Karasik, 2020 .

Synthesis, spatial and electronic structure of 1-(+)-neomenthyl-1,2-diphosphole and 1-(+)-neomenthyl-1,2,4-triphosphole tungstenpentacarbonyl complexes

E. Hey‐Hawkins, S. Katsyuba, P. Lönnecke, 2017 .

The influence of different substituents on the geometrical changes in the heterocyclic moiety of 1,2-diphospholes

S. Katsyuba, O. Sinyashin, A. Zagidullin, 2016 .

Comparative Study of Conjugational Effects in 3,4,5-Triaryl-1-R-1,2-Diphospholes and 3,4,5-Triaryl-1,2-Diphosphacyclopentadienide-Anions

S. Katsyuba, O. Sinyashin, A. Zagidullin, 2015 .

Conjugation in and optical properties of 1-R-1,2-diphospholes and 1-R-phospholes.

E. Hey‐Hawkins, S. Katsyuba, P. Lönnecke, 2014, The journal of physical chemistry. A.

Application of time-dependent density functional theory and optical spectroscopy toward the rational design of novel 3,4,5-triaryl-1-R-1,2-diphospholes.

S. Grimme, S. Katsyuba, O. Sinyashin, 2013, The journal of physical chemistry. A.

Theoretical study of the excited state properties of luminescent phospholes

S. Katsyuba, X. Assfeld, A. Monari, 2019, Dyes and Pigments.

Binding energies, vibrations and structural characteristics of small polyphosphorus molecules from quantum chemical computations.

S. Katsyuba, R. Schmutzler, J. Grunenberg, 2005, Dalton transactions.

Scaled quantum mechanical computations of vibrational spectra of organoelement molecules, containing the atoms P, S, and Cl

S. Katsyuba, E. Vandyukova, 2003 .

Guest-induced conformation shift of p-sulphonatothiacalix[4]arene in the solid state and solution manipulated by [Zn(dipy)3]2+

S. Katsyuba, A. Gubaidullin, A. Konovalov, 2010 .

Photophysical properties of new anthracene-ended calix[4]resorcinols

S. Katsyuba, I. Kolesnikov, A. Burilov, 2020, Mendeleev Communications.

Vibrational spectra, co-operative intramolecular hydrogen bonding and conformations of calix[4]arene and thiacalix[4]arene molecules and their para-tert-butyl derivatives.

S. Katsyuba, I. Stoikov, V. Zverev, 2005, Organic & biomolecular chemistry.

Cooperative intramolecular hydrogen bond and conformations of thiocalix[4]arene molecules

S. Katsyuba, I. Stoikov, V. Zverev, 2002 .

Calorimetric and spectroscopic studies on solvation energetics for H₂ storage in the CO₂/HCOOH system.

G. Laurenczy, S. Katsyuba, Cornel Fink, 2016, Physical chemistry chemical physics : PCCP.

Transferability of the force constants in organophosphorus compounds. Vibrational spectra and potential fields of ethyl- and isopropylphosphines

S. Katsyuba, R. R. Shagidullin, V. N. Shegeda, 1991 .

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

S. Katsyuba, A. Gubaidullin, A. Mustafina, 2023, Polymers.

Comparative studies of geometric and quasielastic characteristics of PP and SS bonds.

S. Katsyuba, R. Schmutzler, 2008, Dalton transactions.

Water dispersible supramolecular assemblies built from luminescent hexarhenium clusters and silver(I) complex with pyridine-2-ylphospholane for sensorics

K. Brylev, S. Katsyuba, I. Nizameev, 2020 .

Vibrational spectra and conformational isomerism of calixarene building blocks. III. 2,6-Dimethylanisole and n-propyl-2,6-dimethylphenyl ether ☆

S. Katsyuba, U. Hohm, R. Schmutzler, 2002 .

Conformations and coordination properties of trialkyltrithiophosphites in copper(I) complexes

S. Katsyuba, A. Gubaidullin, I. Litvinov, 2000 .

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

S. Katsyuba, X. Assfeld, A. Monari, 2020, The journal of physical chemistry. A.

Silica nanoparticles with dual visible–NIR luminescence affected by silica confinement of Tb(III) and Yb(III) complexes for cellular imaging application

S. Katsyuba, I. Nizameev, A. Mustafina, 2019, Journal of Materials Science.

A rational synthetic approach to 2,3,4,5-tetraphenyl-1-monophosphole and its derivatives

Yongxin Li, S. Katsyuba, P. Leung, 2021, Inorganic Chemistry Communications.

High-temperature spin-crossover in coordination compounds of iron(II) with tris(pyrazol-1-yl)methane

S. Katsyuba, S. Solovieva, A. Mustafina, 2010 .

Force constants and vibrational spectra of methylphosphine dimethylphosphine, and trimethylphosphine

S. Katsyuba, I. S. Pominov, B. P. Khalepp, 1982 .

DIMETHYLPHOSPHINE, AND TRIMETHYLPHOSPHINE

S. Katsyuba, I. S. Pominov, B. P. Khalepp, 1982 .

Synthesis and structure of the iron(iii) tris-chelate complex based on 1,1´-ferrocenediylbis(phenylphosphinic acid)

S. Katsyuba, O. Sinyashin, O. Kataeva, 2015, Russian Chemical Bulletin.

Enhanced conversion of carbohydrates to the platform chemical 5-hydroxymethylfurfural using designer ionic liquids.

N. Yan, R. Scopelliti, Zhaofu Fei, 2014, ChemSusChem.

Vibrational spectra, conformations, and intramolecular interactions of X(CH 2 ) 2 –O–PCl 2 molecules

S. Katsyuba, V. Alfonsov, A. Chernova, 1999 .

Vibrational spectra, conformations, and intramolecular interactions of R(CH2)2-O-PCl2 molecules (R=Et, OMe).

S. Katsyuba, V. Alfonsov, L. Avvakumova, 1999 .

First neutral dinuclear cobalt complex formed by bridging [μ-O2P(H)R]– ligands: synthesis, X-ray crystal structure and quantum-chemical study

S. Katsyuba, O. Sinyashin, A. Dobrynin, 2015 .

How strong is hydrogen bonding in ionic liquids? Combined X-ray crystallographic, infrared/Raman spectroscopic, and density functional theory study.

N. Yan, R. Scopelliti, Zhaofu Fei, 2013, The journal of physical chemistry. B.

Indolizine-based chromophores with octatetraene π-bridge and tricyanofurane acceptor: Synthesis, photophysical, electrochemical and electro-optic properties

S. Katsyuba, M. Balakina, Y. Budnikova, 2020 .

Conformational analysis of mono-and bis(dimethoxyphosphoryl)benzenes

S. Katsyuba, S. Tverdomed, D. Chachkov, 2006 .

Vibrational spectra and conformational isomerism of calixarene building blocks. Part I. Diphenylmethane, (C 6 H 5 ) 2 CH 2

S. Katsyuba, J. Grunenberg, R. Schmutzler, 2001 .

Vibrational modes and force constants ofp-bromotoluene

S. Katsyuba, 1996 .

Molecular Structure, Vibrational Spectra, and Hydrogen Bonding of the Ionic Liquid 1‐Ethyl‐3‐methyl‐1H‐imidazolium Tetrafluoroborate

P. Dyson, S. Katsyuba, Ana Vidiš, 2004 .

Revisiting conformations of methyl lactate in water and methanol.

S. Spicher, S. Grimme, S. Katsyuba, 2021, The Journal of chemical physics.

A fresh look at participation of phosphorus atom in conjugation

S. Katsyuba, T. Burganov, 2016 .

Is there a simple way to reliable simulations of infrared spectra of organic compounds?

S. Katsyuba, E. Zvereva, T. Burganov, 2013, The journal of physical chemistry. A.

Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution

S. Spicher, S. Grimme, S. Katsyuba, 2021, J. Comput. Chem..

Infrared and Raman bands of cyclopentadienyl ligands as indicators of electronic configuration of metal centers in metallocenes

S. Katsyuba, T. Gerasimova, 2015 .

Rationalization of solvation and stabilization of palladium nanoparticles in imidazolium-based ionic liquids by DFT and vibrational spectroscopy.

N. Yan, P. Dyson, S. Katsyuba, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

Solvation and stabilization of palladium nanoparticles in phosphonium-based ionic liquids: a combined infrared spectroscopic and density functional theory study.

D. A. Arkhipova, S. Grimme, N. Yan, 2014, Physical chemistry chemical physics : PCCP.

Principal Descriptors of Ionic Liquid Co-catalysts for the Electrochemical Reduction of CO2

M. Nazeeruddin, P. Dyson, S. Katsyuba, 2020 .

Delineation of the Critical Parameters of Salt Catalysts in the N-Formylation of Amines with CO2.

P. Dyson, M. Hulla, S. Katsyuba, 2019, Chemistry.

Synthesis, IR/Raman, and quantum-chemical structural analysis of new octathiotetraphosphetane ammonium salts

S. Katsyuba, O. Sinyashin, E. Zvereva, 2011 .

Internal rotation in 1,2-di-(p-bromophenyl)ethane: Infrared spectra and normal coordinate calculations

S. Katsyuba, D. Kamalova, A. Stolov, 1997 .

Vibrational spectra and conformations of chloromethyldimethyl- and tris(chloromethyl)phosphine oxides

S. Katsyuba, A. Remizov, 1989 .

The effect of stacking arrangement on the conjugation in azochromophores revealed by combination of Raman spectroscopy and DFT calculations

S. Katsyuba, M. Balakina, T. Burganov, 2016 .

Application of density functional theory and optical spectroscopy for the prediction of the photophysical properties of Р-pyridylphospholanes

S. Katsyuba, O. Sinyashin, A. Karasik, 2019, Russian Chemical Bulletin.

Energetics of intramolecular hydrogen bonds and conformations of ω-diphenylphosphoryl- and ω-diphenylthiophosphoryl-substituted aliphatic alcohol molecules

S. Katsyuba, A. Chernova, R. R. Shagidullin, 2004 .

Structural studies of the ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate in dichloromethane using a combined DFT-NMR spectroscopic approach.

P. Dyson, S. Katsyuba, Ana Vidiš, 2009, The journal of physical chemistry. B.

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

S. Spicher, S. Grimme, S. Katsyuba, 2020, The journal of physical chemistry. B.

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

S. Grimme, S. Katsyuba, E. Zvereva, 2019, The journal of physical chemistry. A.

A remarkable anion effect on palladium nanoparticle formation and stabilization in hydroxyl-functionalized ionic liquids.

N. Yan, P. Dyson, S. Katsyuba, 2012, Physical chemistry chemical physics : PCCP.

Force constants and vibrational spectra of molecules RP(X)F2

S. Katsyuba, R. R. Shagidullin, 1985 .

Synthesis and characterization of poly([Eu or Dy] 1,1’-ferrocenediyl-bis(H-phosphinates))

S. Katsyuba, M. Khrizanforov, Y. Budnikova, 2019, Phosphorus, Sulfur, and Silicon and the Related Elements.

Vibrational spectra, conformations, and force constants of bis(dimethylamino)chlorophosphine and 2-chloro-1,3-dimethyl-1,3,2-diazaphospholane

S. Katsyuba, O. N. Nuretdinova, R. R. Shagidullin, 1998 .

Vibrational spectra, conformations and intramolecular interactions of the Cl2P–O–(CH2)2SCN molecule

S. Katsyuba, V. Alfonsov, R. Kamalov, 1997 .

Spectroscopic studies of compounds containing a P —H bond

S. Katsyuba, R. R. Shagidullin, L. K. Ashrafullina, 1995 .

Correlations between metal spin states and vibrational spectra of a trinuclear Fe(II) complex exhibiting spin crossover

S. Katsyuba, M. Kaupp, Vladimir Pelmenschikov, 2015 .

Towards the intercalation of Li cations to the Co(II) and Mn(II) ferrocenyl-phosphinic MOFs

S. Katsyuba, M. Khrizanforov, Y. Budnikova, 2021 .

Vibrational spectra and rotational isomerism in Cl2PXCH3 (X=0, S)

S. Katsyuba, E. Ofitserov, F. Bilalov, 1982 .

Vibrational spectra and rotational isomerism of ethyl dichlorothiophosphite C2H5SPCl2 and triethyl trithiophosphite (C2H5S)3P

S. Katsyuba, O. Sinyashin, R. R. Shagidullin, 1987 .

Solvation of Palladium Clusters in an Ionic Liquid: A QM/MM Molecular Dynamics Study

P. Dyson, S. Katsyuba, E. Zvereva, 2016 .

Rationalization of solvation and stabilization of palladium nanoparticles in imidazolium-based ionic liquids by DFT and vibrational spectroscopy.

N. Yan, P. Dyson, S. Katsyuba, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

Towards a frustrated Lewis pair-ionic liquid system

R. Scopelliti, Zhaofu Fei, P. Dyson, 2018 .

Zn and Co redox active coordination polymers as efficient electrocatalysts.

S. Kaskel, I. Senkovska, S. Katsyuba, 2019, Dalton transactions.

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

S. Katsyuba, T. Burganov, 2024, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy.

Energy of intramolecular hydrogen bonds in o-halophenols

S. Katsyuba, A. K. Plyamovatyi, R. R. Shagidullin, 1980 .

Quantification of Conventional and Nonconventional Charge-Assisted Hydrogen Bonds in the Condensed and Gas Phases.

R. Scopelliti, Zhaofu Fei, P. Dyson, 2015, The journal of physical chemistry letters.

Variable temperature IR spectroscopy and quantum chemistry as the tool for diagnostics of metal spin state

S. Katsyuba, O. Shakirova, L. Lavrenova, 2010 .

Mechanistic Insights for Acid‐catalyzed Rearrangement of Quinoxalin‐2‐one with Diamine and Enamine

S. Grimme, S. Katsyuba, N. Zhukova, 2021 .