Jakub Šebera

Czech Academy of Sciences, J. Heyrovský Institute of Physical Chemistry — Czech Republic

Engineering · Physical Sciences

22h-index1.7kcitations80works0.02yr avg
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Research Topics

Molecular Junctions and Nanostructures(26), DNA and Nucleic Acid Chemistry(23), Advanced biosensing and bioanalysis techniques(10), Quantum and electron transport phenomena(8), Porphyrin and Phthalocyanine Chemistry(6)

Publications80 total

Deciphering Dickerson–Drew DNA Equilibrium beyond the BI/BII DNA Dichotomy by Interpretation of <sup>31</sup>P NMR Parameters
Journal of Chemical Theory and Computation·2025Open Access
Single Molecule Conductance of Anthraquinone‐Based Molecular Wire: Effect of the Anchoring Group
Helvetica Chimica Acta·2024Open Access
Pencil graphite electrodes for in-situ spectroelectrochemical sensing of reaction intermediates and products in organic solvents
Analytica Chimica Acta·2024
Self-Assembled Monolayers of Molecular Conductors with Terpyridine-Metal Redox Switching Elements: A Combined AFM, STM and Electrochemical Study
Molecules·2022· 1 citedOpen Access
Probabilistic Interpretation of NMR <i>J</i>-Couplings Determines BI–BII State Equilibria in DNA
Journal of Chemical Theory and Computation·2022· 3 cited
Quantitative Analysis of Nanorough Hydrogenated Si(111) Surfaces through Vibrational Spectral Assignment by Periodic DFT Calculations
The Journal of Physical Chemistry C·2022· 3 citedOpen Access
Additive transport in DNA molecular circuits
Journal of Materials Chemistry C·2022· 7 citedOpen Access
Raman spectroscopy and DFT calculations of PEDOT:PSS in a dipolar field
Physical Chemistry Chemical Physics·2021· 67 cited
The <scp>Ad‐MD</scp> method to calculate <scp>NMR</scp> shift including effects due to conformational dynamics: The <scp><sup>31</sup>P NMR</scp> shift in <scp>DNA</scp>
Journal of Computational Chemistry·2021· 8 cited
FTIR Measurement of the Hydrogenated Si(100) Surface: The Structure-Vibrational Interpretation by Means of Periodic DFT Calculation
The Journal of Physical Chemistry C·2021· 5 cited
CCDC 1896561: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
Does the Seebeck coefficient of a single-molecule junction depend on the junction configuration?
Journal of Materials Chemistry A·2021· 6 cited
Environmental Control of Single‐Molecule Junction Evolution and Conductance: A Case Study of Expanded Pyridinium Wiring
Angewandte Chemie International Edition·2020· 14 citedOpen Access
Environmental Control of Single‐Molecule Junction Evolution and Conductance: A Case Study of Expanded Pyridinium Wiring
Angewandte Chemie·2020· 2 citedOpen Access
HERMES – A Software Tool for the Prediction and Analysis of Magnetic‐Field‐Induced Residual Dipolar Couplings in Nucleic Acids
ChemPlusChem·2020Open Access
Correction to “Interstrand Charge Transport within Metallo-DNA: the Effect Due to Hg(II)- and Ag(I)-Mediated Base Pairs”
The Journal of Physical Chemistry C·2020
QM and QM/MM umbrella sampling MD study of the formation of Hg(II)–thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH
Journal of Computational Chemistry·2020· 3 cited
Interstrand Charge Transport within Metallo-DNA: the Effect Due to Hg(II)- and Ag(I)-Mediated Base Pairs
The Journal of Physical Chemistry C·2020· 4 cited
Electrochemical characterization of the artificial metalloenzyme papain-[(η6-arene)Ru(1,10-phenanthroline)Cl]+
Journal of Electroanalytical Chemistry·2020· 1 citedOpen Access
Single Molecule Conductance of Electroactive Helquats: Solvent Effect
ChemElectroChem·2019· 5 cited
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Frequent Co-authors

Vladimı́r Sychrovský(24), Irena Kratochvílová(13), Yoshiyuki Tanaka(12), Stanislav Záliš(10), Viliam Kolivoška(10), Jindřich Gasior(10), Gábor Mészáros(10), Magdaléna Hromadová(10), Jiří Fukal(7), Akira Ono(6), Chojiro Kojima(6), Takenori Dairaku(5), Ondřej Páv(5), Michal Valášek(5), Táňa Sebechlebská(5), S. Nešpůrek(4), David Řeha(4), Ivan Rosenberg(4), Marcel Mayor(4), Radim Nencka(4)