| Molecular mechanism of Overhauser dynamic nuclear polarization in insulating solids S Pylaeva, KL Ivanov, M Baldus, D Sebastiani, H Elgabarty The journal of physical chemistry letters 8 (10), 2137-2142, 2017 | 68 | 2017 |
| Salt bridge in aqueous solution: Strong structural motifs but weak enthalpic effect S Pylaeva, M Brehm, D Sebastiani Scientific reports 8 (1), 13626, 2018 | 48 | 2018 |
| Polar solvent fluctuations drive proton transfer in hydrogen bonded complexes of carboxylic acid with pyridines: NMR, IR and ab initio MD study B Koeppe, SA Pylaeva, C Allolio, D Sebastiani, ETJ Nibbering, ... Physical Chemistry Chemical Physics 19 (2), 1010-1028, 2017 | 40 | 2017 |
| Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)− bonded system S Pylaeva, C Allolio, B Koeppe, GS Denisov, HH Limbach, D Sebastiani, ... Physical Chemistry Chemical Physics 17 (6), 4634-4644, 2015 | 33 | 2015 |
| Nanocage formation and structural anomalies in imidazolium ionic liquid glasses governed by alkyl chains of cations OD Bakulina, MY Ivanov, SA Prikhod'ko, S Pylaeva, IV Zaytseva, ... Nanoscale 12 (38), 19982-19991, 2020 | 29 | 2020 |
| Symmetry and dynamics of FHF− anion in vacuum, in CD 2 Cl 2 and in CCl 4. Ab initio MD study of fluctuating solvent–solute hydrogen and halogen bonds SA Pylaeva, H Elgabarty, D Sebastiani, PM Tolstoy Physical Chemistry Chemical Physics 19 (38), 26107-26120, 2017 | 25 | 2017 |
| Mixed‐Valence Compounds as Polarizing Agents for Overhauser Dynamic Nuclear Polarization in Solids A Gurinov, B Sieland, A Kuzhelev, H Elgabarty, TD Kühne, T Prisner, ... Angewandte Chemie International Edition 60 (28), 15371-15375, 2021 | 19 | 2021 |
| Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids S Pylaeva, P Marx, G Singh, TD Kühne, M Roemelt, H Elgabarty The Journal of Physical Chemistry A 125 (3), 867-874, 2021 | 13 | 2021 |
| Inherent heterogeneities and nanostructural anomalies in organic glasses revealed by EPR MY Ivanov, OD Bakulina, DV Alimov, SA Prikhod'Ko, SL Veber, S Pylaeva, ... Nanoscale Advances 3 (17), 4973-4978, 2021 | 7 | 2021 |
| Phosphine oxides as NMR and IR spectroscopic probes for the estimation of the geometry and energy of PO⋯ H–A hydrogen bonds MA Kostin, SA Pylaeva, PM Tolstoy Physical Chemistry Chemical Physics 24 (11), 7121-7133, 2022 | 6 | 2022 |
| The Conformational Ensemble of Polyglutamine‐14 Chains: Specific Influences of Solubility Tail and Chromophores S Pylaeva, A Böker, H Elgabarty, W Paul, D Sebastiani ChemPhysChem 19 (21), 2931-2937, 2018 | 6 | 2018 |
| Hydrogen bonding in bis (6-amino-1, 3-dimethyluracil-5-yl)-methane derivatives: Dynamic NMR and DFT evaluation MV Sigalov, SA Pylaeva, PM Tolstoy The Journal of Physical Chemistry A 120 (17), 2737-2748, 2016 | 5 | 2016 |
| Structural Anomaly in Glasses: Molecular Dynamics Study of Organic Radical in Dibutylphthalate at Different Temperatures DV Alimov, MY Ivanov, S Pylaeva, MV Fedin International Journal of Molecular Sciences 23 (23), 14859, 2022 | | 2022 |
| Gemischtvalente Verbindungen als polarisierende Mittel für die dynamische Kern‐Overhauser‐Polarisation in Festkörpern A Gurinov, B Sieland, A Kuzhelev, H Elgabarty, TD Kühne, T Prisner, ... Angewandte Chemie 133 (28), 15499-15503, 2021 | | 2021 |
| NANOSTRUCTURAL ANOMALY OF GLASSY IONIC LIQUIDS REVEALED BY ELECTRON PARAMAGNETIC RESONANCE M Ivanov, S Prikhod'ko, N Adonin, S Pylaeva, M Fedin XXVIII Международная Чугаевская конференция по координационной химии, 548-548, 2021 | | 2021 |
| Fluxional hydrogen-bonded complexes involving POOH groups: structure and dynamics revealed by 1H and 31P NMR PM Tolstoy, VV Mulloyarova, IS Giba, MA Kostin, SA Pylaeva Magnetic Resonance and its Applications, 64-66, 2020 | | 2020 |
| Computational spectroscopy of molecular dynamics phenomena in condensed phase:[kumulative Dissertation] S Pylaeva Dissertation, Halle (Saale), Martin-Luther-Universität Halle-Wittenberg, 2019, 2019 | | 2019 |
| Aprotic Polar Solvent Dynamics and Proton Tautomerism in Strong Hydrogen Bonds. NMR, UV-vis and MD Study PM Tolstoy, SA Pylaeva, B Koeppe, EY Tupikina, C Allolio, D Sebastiani, ... Central European School on Physical Organic Chemistry, 2014 | | 2014 |
| Category: Abstract Posters S Pylaeva, H Elgabarty, D Sebastiani | | |
| Polymers: random coils and beyond S Pylaeva, M Brehm, D Sebastiani | | |
