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List of works by Przemysław Dopieralski

Ab initio molecular dynamics study of overtone excitations in formic acid and its water complex

scientific article

About the Aromaticity of symm-Triaminotrinitrobenzene

scientific article published on 07 March 2019

Force-Induced Reversal of β-Eliminations: Stressed Disulfide Bonds in Alkaline Solution.

scientific article published on 4 December 2015

Force-transformed free-energy surfaces and trajectory-shooting simulations reveal the mechano-stereochemistry of cyclopropane ring-opening reactions

scientific article published on 21 June 2011

Mechanochemical disulfide reduction reveals imprints of noncovalent sulfuroxygen chalcogen bonds in protein-inspired mimics in aqueous solution

scientific article published on 29 October 2020

On the Intramolecular Hydrogen Bond in Solution: Car-Parrinello and Path Integral Molecular Dynamics Perspective.

scientific article published on 24 October 2011

On the role of polymer chains in transducing external mechanical forces to benzocyclobutene mechanophores

Proton Transfer Dynamics in Crystalline Maleic Acid from Molecular Dynamics Calculations.

scientific article published on May 2010

Proton-transfer dynamics in the (HCO3-)2 dimer of KHCO3 from Car-Parrinello and path-integrals molecular dynamics calculations.

scientific article published on 26 February 2010

The Janus-faced role of external forces in mechanochemical disulfide bond cleavage.

scientific article published on 16 June 2013

The effect of tensile stress on the conformational free energy landscape of disulfide bonds

scientific article

The influence of structure on the methyl group dynamics of polymorphic complexes: 6,6′-dimethyl-2,2′-dipyridyl with halo derivatives of benzoquinone acids

scientific article published in 2020

Unclicking the Click: Metal-Assisted Mechanochemical Cycloreversion of Triazoles Is Possible

scientific article published on 24 April 2017

Unexpected mechanochemical complexity in the mechanistic scenarios of disulfide bond reduction in alkaline solution.

scientific article published on 24 October 2016

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