List of works - Lukas Bucinsky

A five-coordinate manganese(iii) complex of a salen type ligand with a positive axial anisotropy parameter D.

scientific article published on 29 August 2017

Ab initio X(1)0(+) ground state potential curves of Pb···RG dimers (RG = He, Ne, Ar) including spin-orbit effects. Simulation of diffusion coefficients.

scientific article published in September 2014

Calculations of hyperfine coupling constant of copper(II) in aqueous environment. Finite temperature molecular dynamics and relativistic effects

scientific article published on 18 August 2015

Charge and Spin States in Schiff Base Metal Complexes with a Disiloxane Unit Exhibiting a Strong Noninnocent Ligand Character: Synthesis, Structure, Spectroelectrochemistry, and Theoretical Calculations

scientific article published in June 2015

Charge density of 4-methyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]thiazole-2(3H)-thione. A comprehensive multipole refinement, maximum entropy method and density functional theory study

scientific article published on 21 May 2020

Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs

scientific article published on 17 September 2014

Coordination bonding in dicopper and dichromium tetrakis(μ-acetato)-diaqua complexes: Nature, strength, length, and topology

scientific article published on 05 December 2019

Correction to Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes

scientific article published on 02 June 2020

Detection of simple inorganic and organic molecules over Cu-decorated circumcoronene: a combined DFT and QTAIM study

scientific article published on 01 June 2018

HFEPR and Computational Studies on the Electronic Structure of a High-Spin Oxidoiron(IV) Complex in Solution

scientific article published on 31 March 2016

High-Frequency and -Field EPR (HFEPR) Investigation of a Pseudotetrahedral CrIV Siloxide Complex and Computational Studies of Related CrIVL4 Systems

scientific article published on 25 March 2019

Impact of Substituent Variation on the Presence of Thermal Spin Crossover in a Series of Mononuclear Iron(III) Schiff Base Complexes with Terminal Pseudohalido Co-ligands.

scientific article published on 20 November 2017

Ligand Substituent Effects in Manganese Pyridinophane Complexes: Implications for Oxygen-Evolving Catalysis.

scientific article published on 8 November 2017

NO Releasing and Anticancer Properties of Octahedral Ruthenium-Nitrosyl Complexes with Equatorial 1 H-Indazole Ligands

scientific article published on 14 August 2018

Nickel(II) Complexes with Redox Noninnocent Octaazamacrocycles as Catalysts in Oxidation Reactions

scientific article published on 02 August 2019

On relativistic effects in ground state potential curves of Zn2, Cd2, and Hg2 dimers. A CCSD(T) study

scientific article published on 01 January 2009

Protonation and electronic structure of 2,6-dichlorophenolindophenolate during reduction. A theoretical study including explicit solvent.

scientific article published on 29 September 2016

Relativistic Effects on Metal−Metal Bonding: Comparison of the Performance of ECP and Scalar DKH Description on the Picture of Metal−Metal Bonding in Re2Cl82−

article

Relativistic effects in HgHe and HgXe CCSD(T) ground state potential curves. Low-density viscosity simulations of Hg:Xe mixture

scientific article published on 01 January 2011

Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement

scientific article published on 12 August 2019

Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes

scientific article published on 5 April 2017

cis-Tetrachlorido-bis(indazole)osmium(iv) and its osmium(iii) analogues: paving the way towards the cis-isomer of the ruthenium anticancer drugs KP1019 and/or NKP1339.

scientific article

List of works by Lukas Bucinsky