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Autor publikacji Przemysław Dopieralski
Cooperative Halogen Bonding and π – π Stacking Interactions as Drivers of Polymorphism
Małecki Marcin S., Moskwa Marcin, Dopieralski Przemysław, Szafert Sławomir
Role of Solvent and Noncovalent Interactions in Alkaline Reactivity of Strained and Strain‐Free Macrocyclic Disulfides
Dopieralski Przemysław, Bil Andrzej
Better big or strained? Deformations of shape persistent arylene butadiynylene macrocycles
Małecki Marcin, Dopieralski Przemysław, Gulia Nurbey, Pigulski Bartłomiej, Lis Tadeusz, Szafert Sławomir
Impact of deuteration and temperature on furan ring dynamics.
Dopieralski Przemysław, Omelchenko Irina V., Latajka Zdzisław
Temperature driven interchange of the effective size of proton with deuterium.
Topolnicki Rafał, Dopieralski Przemysław
Mechanochemical disulfide reduction reveals imprints of noncovalent sulfur⋯oxygen chalcogen bonds in protein-inspired mimics in aqueous solution.
Dopieralski Przemysław, Zoloff Michoff Martin E., Marx Dominik
The influence of structure on the methyl group dynamics of polymorphic complexes: 6,6′-dimethyl-2,2′-dipyridyl with halo derivatives of benzoquinone acids.
Rok Magdalena, Moskwa Marcin, Dopieralski Przemysław, Medycki Wojciech, Zamponi Michaela, Bator Grażyna
Wiązania chalkogenowe : początki oraz znaczenie w układach biologicznych = Chalcogen bonds : origins and importance in biological systems.
Bucka Alicja, Dopieralski Przemysław
About the aromaticity of symm-triaminotrinitrobenzene.
Omelchenko Irina V., Shishkin Oleg V., Dopieralski Przemysław, Latajka Zdzisław
Ab initio molecular dynamics study of overtone excitations in formic acid and its water complex.
Järvinen Teemu, Lundell Jan, Dopieralski Przemysław
NIC Symposium 2018, 22–23 February 2018, Jülich, Germany
Dopieralski Przemysław
On the overwhelming complexity of mechanochemical disulphide bond reduction in alkaline solution.
Dopieralski Przemysław, Ribas-Arino Jordi, Marx Dominik
Unclicking the click : metal-assisted mechanochemical cycloreversion of triazoles is possible.
Krupička Martin, Dopieralski Przemysław, Marx Dominik
Unexpected mechanochemical complexity in the mechanistic scenarios of disulfide bond reduction in alkaline solution.
Dopieralski Przemysław, Ribas-Arino Jordi, Anjukandi Padmesh, Krupička Martin, Marx Dominik
Computational mechanochemistry.
Dopieralski Przemysław, Latajka Zdzisław
Force-induced reversal of β-eliminations : stressed disulfide bonds in alkaline solution.
Dopieralski Przemysław, Ribas-Arino Jordi, Anjukandi Padmesh, Krupička Martin, Marx Dominik
Force-activated reactivity of disulfides or the "Strange case of dr. Jekyll and Mr. Hyde".
Dopieralski Przemysław, Ribas-Arino Jordi, Marx Dominik
Quantum delocalization of benzene in the ring puckering coordinates.
Walewski Łukasz, Dopieralski Przemysław, Shishkin Oleg V., Latajka Zdzisław
The effect of tensile stress on the conformational free energy landscape of disulfide bonds.
Anjukandi Padmesh, Dopieralski Przemysław, Ribas-Arino Jordi, Marx Dominik
Entropy versus aromaticity in the conformational dynamics of aromatic rings.
Shishkin Oleg V., Dopieralski Przemysław, Omelchenko Irina V., Gorb Leonid, Latajka Zdzisław, Leszczyński Jerzy
The Janus-faced role of external forces in mechanochemical disulfide bond cleavage.
Dopieralski Przemysław, Ribas-Arino Jordi, Anjukandi Padmesh, Krupička Martin, Kiss Janos, Marx Dominik
Mechanochemistry of covalent bond breaking from first principles simulations.
Dopieralski Przemysław, Ribas-Arino Jordi, Marx Dominik
Dynamical nonplanarity of benzene. Evidences from the Car-Parrinello molecular dynamics study.
Shishkin Oleg V., Dopieralski Przemysław, Omelchenko Irina V., Gorb Leonid, Latajka Zdzisław, Leszczyński Jerzy
Force-transformed free-energy surfaces and trajectory-shooting simulations reveal the mechano-stereochemistry of cyclopropane ring-opening reactions.
Dopieralski Przemysław, Ribas-Arino Jordi, Marx Dominik
On the intramolecular hydrogen bond in solution: Car-Parrinello and path integral molecular dynamics perspective.
Dopieralski Przemysław, Perrin C. L., Latajka Zdzisław
On the role of polymer chains in transducing external mechanical forces to benzocyclobutene mechanophores.
Dopieralski Przemysław, Anjukandi Padmesh, Rückert M., Shiga M., Ribas-Arino Jordi, Marx Dominik
Rotation around the glycosidic bond as driving force of proton transfer in protonated 2'-deoxyriboadenosine monophosphate (dAMP).
Shishkin Oleg V., Dopieralski Przemysław, Palamarchuk G. V., Latajka Zdzisław
First-principles investigation of isomerization by proton transfer in β-fumaric acid crystal.
Dopieralski Przemysław, Panek Jarosław, Latajka Zdzisław
Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride.
Dopieralski Przemysław, Panek Jarosław, Mierzwicki Krzysztof, Latajka Zdzisław, Ratajczak Henryk, Barnes Austin J.
Anharmonic interactions and infrared bandshape of the hydrogen bond vibration of potassium hydrogen (deuterium) maleate crystals.
Ratajczak Henryk, Barnes Austin J., Baran Jan, Yaremko Anatoly M., Latajka Zdzisław, Dopieralski Przemysław
Maniak komputerowy w laboratorium : warsztaty chemiczne 2008 : wykład : [dokument elektroniczny].
Wrzeszcz Władysław, Dopieralski Przemysław