List of works - Zdzisław Latajka

2-(Hydroxyimino)propanohydroxamic acid, a new effective ligand for aluminium

article

A Car-Parrinello and path integral molecular dynamics study of the intramolecular lithium bond in the lithium 2-pyridyl-N-oxide acetate.

scientific article published in July 2009

Ab Initio Molecular Dynamics Study of the Very Short O-H···O Hydrogen Bonds in the Condensed Phases

scientific article published on November 2012

Ab initio and quantum chemical topology studies on the isomerization of HONO to HNO2. Effect of the basis set in QCT

scientific article published on 01 November 2010

About the Aromaticity of symm-Triaminotrinitrobenzene

scientific article published on 07 March 2019

Accuracy of Theoretical Potential Energy Profiles along Proton-Transfer Coordinate for XH−NH3(X = F, Cl, Br) Hydrogen-Bonded Complexes

C70Oxides and Ozonides and the Mechanism of Ozonolysis on the Fullerene Surface. A Theoretical Study

scientific article published on 01 September 2009

Cadmium(II) and nickel(II) complexes of benziporphyrins. A study of weak intramolecular metal-arene interactions.

scientific article published in April 2004

Car-Parrinello and Path Integral Molecular Dynamics Study of the Proton Transfer in the Intramolecular Hydrogen Bonds in the Ketohydrazone-Azoenol System

scientific article published on 08 August 2018

Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the acetic acid dimer in the gas phase

scientific article published in March 2011

Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system

scientific article published in August 2007

Car-Parrinello and path integral molecular dynamics study of the intramolecular hydrogen bonds in the crystals of benzoylacetone and dideuterobenzoylacetone

scientific article published in November 2014

Density functional theory based molecular dynamics simulations of C70O3 doped with light molecules

Describing the chemical bonding in C70 and C70O3 – A quantum chemical topology study

article by Andrzej Bil et al published March 2014 in Chemical Physics

Direction of protein biosynthesis as a reflection of the prebiotic environment

scientific article published on 01 November 1997

Effects of xenon insertion into hydrogen bromide. Comparison of the electronic structure of the HBr···CO2 and HXeBr···CO2 complexes using quantum chemical topology methods: electron localization function, atoms in molecules and symmetry adapted pert

scientific article published on 27 May 2014

Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO

scientific article published on 01 February 2011

Electron localization function study on the chemical bonding in a real space for tetrahedrane, cubane, adamantane, and dodecahedrane and their perfluorinated derivatives and radical anions

scientific article published on 03 June 2014

Entropy versus aromaticity in the conformational dynamics of aromatic rings

scientific article

Experimental and Theoretical Study of the Kinetics and Mechanism of the Reaction of Chlorine Atoms with CH3CHClCH3 and CD3CDClCD3.

scientific article published on 13 December 2017

Experimental and computational study of the HXeI···HY complexes (Y = Br and I).

scientific article

FONO: a difficult case for theory. The ELF and ELI-D topological studies on the chemical bonding using correlated wavefunctions

scientific article published on 01 April 2013

First-principles investigation of isomerization by proton transfer in beta-fumaric acid crystal

scientific article published in April 2009

High Kinetic Stability of HXeBr upon Interaction with Carbon Dioxide: HXeBr···CO2 Complex in a Xenon Matrix and HXeBr in a Carbon Dioxide Matrix

scientific article published on 27 April 2012

Hydrogen detachment driven by a repulsive 1πσ* state - an electron localization function study of 3-amino-1,2,4-triazole

scientific article published on 2 February 2018

Investigations of the hydrogen bond in the crystals of tropolone and thiotropolone via car-parrinello and path integral molecular dynamics

scientific article published on 14 December 2018

Investigations of the very short hydrogen bond in the crystal of nitromalonamide via Car-Parrinello and path integral molecular dynamics

scientific article published on 26 April 2013

Matrix-isolation and computational study of the HXeY⋯H2O complexes (Y = Cl, Br, and I).

scientific article published in January 2014

Molecular modeling study of leflunomide and its active metabolite analogues.

scientific article published in January 2005

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

scientific article published on 24 October 2011

On the nature of bonding in HCOOH...Ar and HCOOH...Kr complexes

scientific article published on 12 May 2005

On three-electron bonds and hydrogen bonds in the open-shell complexes [H2X2]+ for X = F, Cl, and Br

scientific article published on 24 March 2007

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

scientific article published on May 2010

Proton transfer dynamics in the propionic acid dimer from path integral molecular dynamics calculations.

scientific article published on 7 January 2011

Proton transfer in strongly hydrogen-bonded molecular complexes: matrix effects

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

Quantum chemical topology study on the electronic structure of cis- and trans-FONO

scientific article published on 01 July 2010

Reaction of atomic hydrogen with formic acid

scientific article published in April 2014

Reinvestigation of spectroscopic properties for ammonia–hydrogen halide complexes from Car–Parrinello Molecular Dynamics

article by Paweł Panek et al published September 2011 in Chemical Physics Letters

Solvent effect on hydrogen bonded ammonia-hydrogen halide complexes: continuum medium versus cluster models

scientific article published on 01 May 2000

Spectroscopic and Computational Characterization of the HCO···H2O Complex

scientific article published on 15 May 2013

Structural analysis and sheep pituitary receptor binding of GnRH and its complexes with metal ions

scientific article published in February 2003

The first structurally characterized nonorganometallic titanium(III) alkoxo-bridged dinuclear complexes

scientific article published on 01 January 2003

The hydroperoxy radical as a hydrogen bond acceptor. HOO-HCl complexes--Ab initio study

scientific article published on 01 February 2006

The structure and chemical bonding in the N(2)-CuX and N(2)...XCu (X = F, Cl, Br) systems studied by means of the molecular orbital and Quantum Chemical Topology methods

scientific article published on 01 December 2008

Tuning of character of the N-O bond in HONO from covalent to protocovalent by different types of intramolecular interactions

scientific article published on 01 September 2013

Vibrational dynamics of medium strength hydrogen bonds: Fourier transform infrared spectra and band contour analysis of the DF stretching region of (CH2)2S-DF.

scientific article published in October 2004

Vibrational dynamics of the hydrogen bonded complexes (CH2)2O-HF and -DF investigated by combined jet- and cell-Fourier transform infrared spectroscopy

scientific article published on 01 February 2005

List of works by Zdzisław Latajka