Lukas Bucinsky - Dissemin

All papers authored by Lukas Bucinsky

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2018 Marián Gall, Lukáš Bučinský

General build up of K+ basis and K+2 matrix in the diagonalization approach. Determination of Kramers configuration state functions

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Michal Malček

, Lukáš Bučinský

, Filipe Teixeira

, M. Natália D. S. Cordeiro

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

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2017 Lukáš Pogány, Barbora Brachňaková, Ján Moncol, Ján Pavlik, Ivan Nemec, Zdeněk Trávníček, Milan Mazúr, Lukáš Bučinský

, Lubomír Suchánek, Ivan Šalitroš

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

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Lenka Kucková, Lukáš Bučinský

, Jozef Kožíšek

Copper atom representation in charge density analysis of (5-chlorosalicylate)-(2,9-dimethylphenanthroline)-(aqua) copper complex: Experimental and theoretical study

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Lukas Bucinsky

, Martin Breza, Wei-Tsung Lee, Anne K. Hickey, Diane A. Dickie

, Ismael Nieto, Jordan A. DeGayner, T. David Harris

, Karsten Meyer

, J. Krzystek, Andrew Ozarowski

, Joscha Nehrkorn, Alexander Schnegg, Karsten Holldack, Rolfe H. Herber and 2 other authors

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

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Gabriel E. Büchel

, Susanne Kossatz, Ahmad Sadique, Peter Rapta, Michal Zalibera

, Lukas Bucinsky

, Stanislav Komorovsky

, Joshua Telser

, Jörg Eppinger

, Thomas Reiner, Vladimir B. Arion

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

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Sergiu Shova, Angelica Vlad, Maria Cazacu

, J. Krzystek, Lukas Bucinsky

, Martin Breza, Denisa Darvasiová, Peter Rapta, Joan Cano

, Joshua Telser

, Vladimir B. Arion

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

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2016 Sandra Dorotíková

, Lenka Kucková, Michal Malček, Kristína Plevová, Jozef Kožíšek, Viktor Milata, Dana Dvoranová, Lukáš Bučinský

Joined X-ray, spectroscopic and theoretical study of potential antibacterial cyano group containing fluoroquinolone drugs precursors with the focus on the conformational behavior

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Stanislav Komorovsky

, Michal Repisky, Lukáš Bučinský

New quantum number for the many-electron Dirac-Coulomb Hamiltonian

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Michal Malček, Lukáš Bučinský

, Zuzana Barbieriková, Sandra Dorotíková, Dana Dvoranová, Vlasta Brezová, Peter Rapta, Stanislav Biskupič

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

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Lukáš Bučinský

, Michal Malček, Stanislav Biskupič

Additivity in kramers pairs symmetry: Multiplets with up to four unpaired electrons

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Lukas Bucinsky

, Gregory T. Rohde, Lawrence Que, Andrew Ozarowski, J. Krzystek, Martin Breza, Joshua Telser

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

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2015 Michal Malček, Lukáš Bučinský

, Marián Valko, Stanislav Biskupič

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

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Sandra Dorotíková, Júlia Kožíšková, Michal Malček, Klaudia Jomová, Peter Herich, Kristína Plevová, Katarína Briestenská, Anna Chalupková, Jela Mistríková, Viktor Milata, Dana Dvoranová, Lukáš Bučinský

Copper(II) complexes with new fluoroquinolones: Synthesis, structure, spectroscopic and theoretical study, DNA damage, cytotoxicity and antiviral activity

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Maria Cazacu, Sergiu Shova

, Alina Soroceanu, Peter Machata, Lukas Bucinsky

, Martin Breza, Peter Rapta, Joshua Telser

, J. Krzystek, Vladimir B. Arion

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

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Lukáš Bučinský

, Michal Malček, Stanislav Biskupič, Dylan Jayatilaka, Gabriel E. Büchel, Vladimir B. Arion

Spin contamination analogy, Kramers pairs symmetry and spin density representations at the 2-component unrestricted Hartree-Fock level of theory

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Dana Dvoranová, Zuzana Barbieriková, Sandra Dorotíková, Michal Malček, Adam Brincko, Lucia Rišpanová, Lukáš Bučinský

, Andrej Staško, Vlasta Brezová, Peter Rapta

Redox processes of 2,6-dichlorophenolindophenolate in different solvents. A combined electrochemical, spectroelectrochemical, photochemical, and theoretical study

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2014 Sandra Dorotíková, Kristína Plevová, Lukas Bucinsky

, Michal Malček, Peter Herich, Lenka Kucková, Miroslava Bobeničová, Stanislava Soralová, Jozef Kozisek, Marek Fronc, Viktor Milata, Dana Dvoranova

Conformational, Spectroscopic, and Molecular Dynamics DFT Study of Precursors for New Potential Antibacterial Fluoroquinolone Drugs

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Peter Machata, Peter Herich, Karol Lušpai, Lukas Bucinsky

, Stanislava Šoralová, Martin Breza, Jozef Kozisek, Peter Rapta

Redox Reactions of Nickel, Copper, and Cobalt Complexes with “Noninnocent” Dithiolate Ligands: Combined in Situ Spectroelectrochemical and Theoretical Study

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Vladimir Sladek, Lukáš Bučinský

, Ján Matuška, Michal Ilčin, Vladimír Lukeš, Viliam Laurinc

Ab initio X10+ground state potential curves of Pb⋯RG dimers (RG = He, Ne, Ar) including spin–orbit effects. Simulation of diffusion coefficients

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All papers authored by Lukas Bucinsky