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Efficient and general algorithms for path integral Car–Parrinello molecular dynamicsTuckerman, Mark E.; Marx, Dominik; Klein, Michael L.; Parrinello, Michele · The Journal of Chemical Physics · 1996
Investigations of an O<img src="http://onlinelibrarystatic.wiley.com/undisplayable_characters/00f8ff.gif" alt="[BOND]">H · · · S hydrogen bond via Car-Parrinello and path integral molecular dynamicsAneta Jezierska; Jarosław J. Panek · 2009
On the Intramolecular Hydrogen Bond in Solution: Car–Parrinello and Path Integral Molecular Dynamics PerspectiveDopieralski, Przemyslaw; Perrin, Charles L.; Latajka, Zdzislaw · Journal of Chemical Theory and Computation · 2011
Proton-transfer dynamics in the (HCO3−)2 dimer of KHCO3 from Car–Parrinello and path-integrals molecular dynamics calculations2010
Investigations of the hydrogen bond in the crystals of tropolone and thiotropolone via car‐parrinello and path integral molecular dynamicsDurlak, Piotr; Latajka, Zdzisław · Journal of Computational Chemistry · 2018
Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer systemDurlak, Piotr; Morrison, Carole A.; Middlemiss, Derek S.; Latajka, Zdzislaw · The Journal of Chemical Physics · 2007
Car–Parrinello and path integral molecular dynamics study of the intramolecular hydrogen bonds in the crystals of benzoylacetone and dideuterobenzoylacetoneDurlak, Piotr; Latajka, Zdzisław · Phys. Chem. Chem. Phys. · 2014
Nature of bonding in substituted polyacetylene: A combined AIM–ELF analysisPiotr Durlak; Krzysztof Mierzwicki; Zdzisław Latajka; Henryk Ratajczak · 2010
Theoretical studies on the molecular structure, conformational preferences, topological and vibrational analysis of allicinDurlak, Piotr; Berski, Sławomir; Latajka, Zdzisław · Chemical Physics Letters · 2015
Proton transfer dynamics in the propionic acid dimer from path integral molecular dynamics calculationsPiotr Durlak; Zdzisław Latajka · 2011
Car–Parrinello molecular dynamics and density functional theory simulations of infrared spectra for acetic acid monomers and cyclic dimersPiotr Durlak; Zdzisław Latajka · 2009
<i>Ab Initio</i> Molecular Dynamics Study of the Very Short O–H···O Hydrogen Bonds in the Condensed PhasesDurlak, Piotr; Latajka, Zdzisław · Journal of Chemical Theory and Computation · 2013
Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the acetic acid dimer in the gas phasePiotr Durlak; Sławomir Berski; Zdzisław Latajka · 2011