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Przemysław Dopieralski, Ph.D.

Permanent Address:

Research Associate

Faculty of Chemistry

University of Wroclaw, F. Joliot-Curie 14/3A

50-383 Wroclaw, POLAND



Tel. ++48 (0)71 375 7306

e-mail: przemyslaw.dopieralski@chem.uni.wroc.pl


Adjunct;      Download Curriculum vitae
M.Sc. 2004, Ph.D. 2008.


From 2014 member of The Academy of Young Scholars and Artists



"Some things are easy, they are only hard to do."      A. Einstein


Invited Reviews, Features, and Lecture Notes

  • P. Dopieralski, J. Ribas–Arino, D. Marx
    "On the Overhelming Complexity of Mechanochemical Disulphide Bond Reduction in Alkaline Solution"
    Eds. K. Binder, G. Muller, A. Trautmann, John von Neumann Institute for Computing (NIC)
    Julich 2018, vol 49, pp. 165-174


  • P. Dopieralski, Z. Latajka
    "Computational mechanochemistry."
    in "Practical aspects of computational chemistry IV", 2016, 233-243.
    ISBN 978-1-4899-7697-0

  • P. Dopieralski, J. Ribas–Arino, D. Marx
    "Force-activated Reactivity of Disulfides
    or the
    ``Strange case of Dr. Jekyll and Mr. Hyde``''
    Eds. K. Binder, G. Munster, R. Kremer, John von Neumann Institute for Computing (NIC)
    Julich 2014, vol 47, pp. 131-138

  • P. Dopieralski, J. Ribas–Arino, D. Marx
    "Mechanochemistry of Covalent Bond Breaking from First Principles Simulations"
    Eds. K. Binder, G. Munster, R. Kremer, John von Neumann Institute for Computing (NIC)
    Julich 2012, vol 45, pp. 115-122

  • P. Dopieralski, P. Anjukandi, J. Ribas–Arino, D. Marx
    Theoretical Mechanochemistry: Stressing Molecules in the Virtual Lab
    InSiDE (Innovatives Supercomputing in Deutschland) 2012, vol. 10, pp. 48-52

The list of publications

    1. Dopieralski Przemysław, Omelchenko Irina V., Latajka Zdzisław
    Impact of deuteration and temperature on furan ring dynamics.
    Molecules, 2021, 26, 2889/1-2889/7
    IF: 4.411
    10.3390/molecules26102889

    2. Topolnicki Rafał, Dopieralski Przemysław
    Temperature driven interchange of the effective size of proton with deuterium.
    Chemical Physics Letters, 2021, 778, 138775/1-138775/4
    IF: 2.328
    10.1016/j.cplett.2021.138775

    3. Dopieralski Przemysław, Zoloff Michoff Martin E., Marx Dominik
    Mechanochemical disulfide reduction reveals imprints of noncovalent sulfur⋯oxygen chalcogen bonds in protein-inspired mimics in aqueous solution.
    Physical Chemistry Chemical Physics, 2020, 22, 25112-25117
    IF: 3.676
    10.1039/d0cp04026f

    4. Rok Magdalena, Moskwa Marcin, Dopieralski Przemysław, Medycki Wojciech, Zamponi Michaela, Bator Grażyna
    The influence of structure on the methyl group dynamics of polymorphic complexes: 6,6′-dimethyl-2,2′-dipyridyl with halo derivatives of benzoquinone acids.
    CrystEngComm, 2020, 22, 6811-6821
    IF: 3.545
    10.1039/d0ce00973c

    5. Omelchenko Irina V., Shishkin Oleg V., Dopieralski Przemysław, Latajka Zdzisław
    About the aromaticity of symm-triaminotrinitrobenzene.
    Journal of Physical Chemistry A, 2019, 123, 2244-2251
    IF: 2.6
    10.1021/acs.jpca.9b00433

    6. Järvinen Teemu, Lundell Jan, Dopieralski Przemysław
    Ab initio molecular dynamics study of overtone excitations in formic acid and its water complex.
    Theoretical Chemistry Accounts, 2018, 137, 100/1-100/8
    IF: 1.598
    10.1007/s00214-018-2280-6

    7. Krupička Martin, Dopieralski Przemysław, Marx Dominik
    Unclicking the click : metal-assisted mechanochemical cycloreversion of triazoles is possible.
    Angewandte Chemie-International Edition, 2017, 56, 7745-7749
    IF: 12.102
    10.1002/anie.201612507

    8. Dopieralski Przemysław, Ribas-Arino Jordi, Anjukandi Padmesh, Krupička Martin, Marx Dominik
    Unexpected mechanochemical complexity in the mechanistic scenarios of disulfide bond reduction in alkaline solution.
    Nature Chemistry, 2017, 9, 164-170
    IF: 26.201
    10.1038/nchem.2632

    9. Dopieralski Przemysław, Ribas-Arino Jordi, Anjukandi Padmesh, Krupička Martin, Marx Dominik
    Force-induced reversal of β-eliminations : stressed disulfide bonds in alkaline solution.
    Angewandte Chemie-International Edition, 2016, 55, 1304-1308
    IF: 11.994
    10.1002/anie.201508005

    10. Walewski Łukasz, Dopieralski Przemysław, Shishkin Oleg V., Latajka Zdzisław
    Quantum delocalization of benzene in the ring puckering coordinates.
    International Journal of Quantum Chemistry, 2014, 114, 534-542
    IF: 1.432
    10.1002/qua.24606

    11. Anjukandi Padmesh, Dopieralski Przemysław, Ribas-Arino Jordi, Marx Dominik
    The effect of tensile stress on the conformational free energy landscape of disulfide bonds.
    PLoS One, 2014, 9, e108812/1-e108812/7
    IF: 3.234
    10.1371/journal.pone.0108812

    12. Shishkin Oleg V., Dopieralski Przemysław, Omelchenko Irina V., Gorb Leonid, Latajka Zdzisław, Leszczyński Jerzy
    Entropy versus aromaticity in the conformational dynamics of aromatic rings.
    Journal of Molecular Modeling, 2013, 19, 4073-4077
    IF: 4.739
    10.1007/s00894-012-1670-2

    13. Dopieralski Przemysław, Ribas-Arino Jordi, Anjukandi Padmesh, Krupička Martin, Kiss Janos, Marx Dominik
    The Janus-faced role of external forces in mechanochemical disulfide bond cleavage.
    Nature Chemistry, 2013, 5, 685-691
    IF: 23.297
    10.1038/NCHEM.1676

    14. Shishkin Oleg V., Dopieralski Przemysław, Omelchenko Irina V., Gorb Leonid, Latajka Zdzisław, Leszczyński Jerzy
    Dynamical nonplanarity of benzene. Evidences from the Car-Parrinello molecular dynamics study.
    Journal of Physical Chemistry Letters, 2011, 2, 2881-2884
    IF: 6.213
    10.1021/jz201327t

    15. Dopieralski Przemysław, Ribas-Arino Jordi, Marx Dominik
    Force-transformed free-energy surfaces and trajectory-shooting simulations reveal the mechano-stereochemistry of cyclopropane ring-opening reactions.
    Angewandte Chemie-International Edition, 2011, 50, 7105-7108
    IF: 13.455
    10.1002/anie.201100399

    16. Dopieralski Przemysław D., Burakowski Andrzej, Latajka Zdzisław, Olovsson Ivar
    Hydration of NaHCO3, KHCO3, (HCO3-)2, HCO3- and CO32- from molecular dynamics simulation and speed of sound measurements.
    Chemical Physics Letters, 2011, 507, 89-95
    IF: 2.337
    10.1016/j.cplett.2011.03.065

    17. Dopieralski Przemysław, Perrin C. L., Latajka Zdzisław
    On the intramolecular hydrogen bond in solution: Car-Parrinello and path integral molecular dynamics perspective.
    Journal of Chemical Theory and Computation, 2011, 7, 3505-3513
    IF: 5.215
    10.1021/ct200580c

    18. Dopieralski Przemysław, Anjukandi Padmesh, Rückert M., Shiga M., Ribas-Arino Jordi, Marx Dominik
    On the role of polymer chains in transducing external mechanical forces to benzocyclobutene mechanophores.
    Journal of Materials Chemistry, 2011, 21, 8309-8316
    IF: 5.968
    10.1039/c0jm03698f

    19. Dopieralski Przemysław D., Latajka Zdzisław, Olovsson Ivar
    Proton transfer dynamics in crystalline maleic acid from molecular dynamics calculations.
    Journal of Chemical Theory and Computation, 2010, 6, 1455-1461
    IF: 5.138
    10.1021/ct100078w

    20. Dopieralski Przemysław D., Latajka Zdzisław, Olovsson Ivar
    Proton-transfer dynamics in the (HCO3-)2 dimer of KHCO3 from Car-Parrinello and path-integrals molecular dynamics calculations.
    Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 2010, B66, 222-228
    IF: 1.829
    10.1107/S0108768110002314

    21. Shishkin Oleg V., Dopieralski Przemysław, Palamarchuk G. V., Latajka Zdzisław
    Rotation around the glycosidic bond as driving force of proton transfer in protonated 2'-deoxyriboadenosine monophosphate (dAMP).
    Chemical Physics Letters, 2010, 490, 221-225
    IF: 2.282
    10.1016/j.cplett.2010.03.044

    22. Dopieralski Przemysław, Panek Jarosław, Latajka Zdzisław
    First-principles investigation of isomerization by proton transfer in β-fumaric acid crystal.
    Journal of Chemical Physics, 2009, 130, 164517/1-164517/9
    IF: 3.093
    10.1063/1.3124192

    23. Dopieralski Przemysław D., Latajka Zdzisław, Olovsson Ivar
    Proton distribution in KHCO3 from ab initio molecular dynamics simulation.
    Chemical Physics Letters, 2009, 476, 223-226
    IF: 2.291
    10.1016/j.cplett.2009.06.048

    24. Dopieralski Przemysław, Panek Jarosław, Mierzwicki Krzysztof, Latajka Zdzisław, Ratajczak Henryk, Barnes Austin J.
    Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride.
    Journal of Molecular Structure-Theochem, 2009, 916, 72-75
    IF: 1.216
    10.1016/j.theochem.2009.09.008

    25. Ratajczak Henryk, Barnes Austin J., Baran Jan, Yaremko Anatoly M., Latajka Zdzisław, Dopieralski Przemysław
    Anharmonic interactions and infrared bandshape of the hydrogen bond vibration of potassium hydrogen (deuterium) maleate crystals.
    Journal of Molecular Structure, 2008, 887, 9-19
    IF: 1.594