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	1.	Picture change error correction of radon atom electron density. [electronic resource] by Bučinský, Lukáš Biskupič, Stanislav Jayatilaka, Dylan Producer: 20110222 In: The Journal of chemical physics vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Relativistic Effects on Metal-Metal Bonding: Comparison of the Performance of ECP and Scalar DKH Description on the Picture of Metal-Metal Bonding in Re2Cl8(2.). [electronic resource] by Ponec, Robert Bučinský, Lukáš Gatti, Carlo Producer: 20151201 In: Journal of chemical theory and computation vol. 6 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth. [electronic resource] by Bučinský, Lukáš Jayatilaka, Dylan Grabowsky, Simon Producer: 20180122 In: The journal of physical chemistry. A vol. 120 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement. [electronic resource] by Bučinský, Lukáš Jayatilaka, Dylan Grabowsky, Simon Publication details: Acta crystallographica. Section A, Foundations and advances Sep 2019 In: Acta crystallographica. Section A, Foundations and advances vol. 75 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Calculations of hyperfine coupling constant of copper(II) in aqueous environment. Finite temperature molecular dynamics and relativistic effects. [electronic resource] by Malček, Michal Bučinský, Lukáš Valko, Marián Biskupič, Stanislav Producer: 20151214 In: Journal of molecular modeling vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Relativistic effects in HgHe and HgXe CCSD(T) ground state potential curves. Low-density viscosity simulations of Hg:Xe mixture. [electronic resource] by Bučinský, Lukáš Biskupič, Stanislav Ilčin, Michal Lukeš, Vladimír Laurinc, Viliam Producer: 20110325 In: Journal of computational chemistry vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	On relativistic effects in ground state potential curves of Zn2, Cd2, and Hg2 dimers. A CCSD(T) study. [electronic resource] by Bucinský, Lukás Biskupic, Stanislav Ilcin, Michal Lukes, Vladimír Laurinc, Viliam Producer: 20081219 In: Journal of computational chemistry vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Detection of simple inorganic and organic molecules over Cu-decorated circumcoronene: a combined DFT and QTAIM study. [electronic resource] by Malček, Michal Bučinský, Lukáš Teixeira, Filipe Cordeiro, M Natália D S Producer: 20180613 In: Physical chemistry chemical physics : PCCP vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Coordination bonding in dicopper and dichromium tetrakis(μ-acetato)-diaqua complexes: Nature, strength, length, and topology. [electronic resource] by Malček, Michal Vénosová, Barbora Puškárová, Ingrid Kožíšek, Jozef Gall, Marián Bučinský, Lukáš Publication details: Journal of computational chemistry Mar 2020 In: Journal of computational chemistry vol. 41 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	X-ray constrained unrestricted Hartree-Fock and Douglas-Kroll-Hess wavefunctions. [electronic resource] by Hudák, Martin Jayatilaka, Dylan Perasínová, Lucia Biskupic, Stanislav Kozísek, Jozef Bucinský, Lukás Producer: 20100316 In: Acta crystallographica. Section A, Foundations of crystallography vol. 66 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	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. [electronic resource] by Sladek, Vladimir Bučinský, Lukáš Matuška, Ján Ilčin, Michal Lukeš, Vladimír Laurinc, Viliam Producer: 20150511 In: Physical chemistry chemical physics : PCCP vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	HFEPR and Computational Studies on the Electronic Structure of a High-Spin Oxidoiron(IV) Complex in Solution. [electronic resource] by Bucinsky, Lukas Rohde, Gregory T Que, Lawrence Ozarowski, Andrew Krzystek, J Breza, Martin Telser, Joshua Producer: 20161213 In: Inorganic chemistry vol. 55 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Protonation and electronic structure of 2,6-dichlorophenolindophenolate during reduction. A theoretical study including explicit solvent. [electronic resource] by Malček, Michal Bučinský, Lukáš Barbieriková, Zuzana Dorotíková, Sandra Dvoranová, Dana Brezová, Vlasta Rapta, Peter Biskupič, Stanislav Producer: 20180131 In: Journal of molecular modeling vol. 22 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Ligand Substituent Effects in Manganese Pyridinophane Complexes: Implications for Oxygen-Evolving Catalysis. [electronic resource] by Xu, Song Bucinsky, Lukas Breza, Martin Krzystek, J Chen, Chun-Hsing Pink, Maren Telser, Joshua Smith, Jeremy M Producer: 20180216 In: Inorganic chemistry vol. 56 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	High-Frequency and -Field EPR (HFEPR) Investigation of a Pseudotetrahedral Cr [electronic resource] by Bucinsky, Lukas Breza, Martin Malček, Michal Powers, David C Hwang, Seung Jun Krzystek, J Nocera, Daniel G Telser, Joshua Publication details: Inorganic chemistry Apr 2019 In: Inorganic chemistry vol. 58 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	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. [electronic resource] by Pogány, Lukáš Brachňaková, Barbora Moncol, Ján Pavlik, Ján Nemec, Ivan Trávníček, Zdeněk Mazúr, Milan Bučinský, Lukáš Suchánek, Lubomír Šalitroš, Ivan Producer: 20180411 In: Chemistry (Weinheim an der Bergstrasse, Germany) vol. 24 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Dinuclear manganese(iii) complexes with bioinspired coordination and variable linkers showing weak exchange effects: a synthetic, structural, spectroscopic and computation study. [electronic resource] by Shova, Sergiu Vlad, Angelica Cazacu, Maria Krzystek, J Ozarowski, Andrew Malček, Michal Bucinsky, Lukas Rapta, Peter Cano, Joan Telser, Joshua Arion, Vladimir B Publication details: Dalton transactions (Cambridge, England : 2003) May 2019 In: Dalton transactions (Cambridge, England : 2003) vol. 48 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Copper(II) complexes with new fluoroquinolones: Synthesis, structure, spectroscopic and theoretical study, DNA damage, cytotoxicity and antiviral activity. [electronic resource] by Dorotíková, Sandra Kožíšková, Júlia Malček, Michal Jomová, Klaudia Herich, Peter Plevová, Kristína Briestenská, Katarína Chalupková, Anna Mistríková, Jela Milata, Viktor Dvoranová, Dana Bučinský, Lukáš Producer: 20160906 In: Journal of inorganic biochemistry vol. 150 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	A five-coordinate manganese(iii) complex of a salen type ligand with a positive axial anisotropy parameter D. [electronic resource] by Shova, Sergiu Vlad, Angelica Cazacu, Maria Krzystek, J Bucinsky, Lukas Breza, Martin Darvasiová, Denisa Rapta, Peter Cano, Joan Telser, Joshua Arion, Vladimir B Producer: 20180220 In: Dalton transactions (Cambridge, England : 2003) vol. 46 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs. [electronic resource] by Dorotíková, Sandra Plevová, Kristína Bučinský, Lukáš Malček, Michal Herich, Peter Kucková, Lenka Bobeničová, Miroslava Šoralová, Stanislava Kožíšek, Jozef Fronc, Marek Milata, Viktor Dvoranová, Dana Producer: 20150604 In: The journal of physical chemistry. A vol. 118 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 25 results.