D. Cagardová

发表

Theoretical Insight on Model Linear Oligomers and Their Ring-fused Analogues Used in Organic Electronics

J. Matúska, D. Cagardová, ir Lu Martin Michalík, 2022, Materials Today Communications.

Impact of molecular chain length on polarizabilities of model acenes and oligomers

J. Matúska, D. Cagardová, Matej Uhliar, 2022, Acta Chimica Slovaca.

Design of Novel Generations of Planar Sunflower Molecules: Theoretical Comparative Study of Electronic Structure and Charge Transport Characteristics

Vladimír Lukes, Peter Poliak, J. Matúska, 2019, The Journal of Physical Chemistry C.

Influence of catecholic ring torsion on hydroxyflavones

Vladimír Lukes, M. Michalík, Monika Biela, 2020 .

Impact of the phenolic O–H vs. C-ring C–H bond cleavage on the antioxidant potency of dihydrokaempferol

Ana D. Amic, Z. Marković, Jaime Rodríguez-Guerra Pedregal, 2021 .

Theoretical and experimental study of model oligothiophenes containing 1-methylene-2-(perfluorophenyl)hydrazine terminal unit

D. Végh, Vladimír Lukes, Peter Poliak, 2016 .

DFT and ab initio calculations of ionization potentials, proton affinities and bond dissociation enthalpies of aromatic compounds

Z. Marković, E. Klein, M. Michalík, 2019, Acta Chimica Slovaca.

Theoretical comparative study of promising semiconducting aromatic molecules and their fluorinated counterparts

Vladimír Lukes, Peter Poliak, M. Michalík, 2020 .

Spectroscopic behavior of alloxazine-based dyes with extended aromaticity: Theory vs Experiment

J. Krajcovic, M. Weiter, Vladimír Lukes, 2021, Optical Materials.

Mactanamide and lariciresinol as radical scavengers and Fe2+ ion chelators - A DFT study.

Ana D. Amic, A. Amic, D. Cagardová, 2022, Phytochemistry.

Molecular orbital analysis of selected organic p-type and n-type conducting small molecules

Vladimír Lukes, D. Cagardová, 2017 .

Chelates of 3- and 5-hydroxyflavone: Quantum chemical study

Vladimír Lukes, M. Michalík, Monika Biela, 2021 .

Electronic structure and charge-transport properties of symmetric linear condensed bis-benzothiadiazole derivatives

Vladimír Lukes, Peter Poliak, M. Michalík, 2019, Journal of Molecular Structure.

Quantum chemical study of electron structure and charge transport properties of symmetric acenequinones

Vladimír Lukes, Peter Poliak, M. Michalík, 2018, Acta Chimica Slovaca.

Density-functional theoretical study of fluorination effect on the electronic structure and electron drift mobilities of symmetric pentacene derivatives

Vladimír Lukes, Peter Poliak, M. Michalík, 2018, Synthetic Metals.

Theoretical modeling of optical spectra of N(1) and N(10) substituted lumichrome derivatives

J. Krajcovic, M. Weiter, Vladimír Lukes, 2020, Acta Chimica Slovaca.

On local aromaticity of selected model aza-[n]circulenes (n = 6, 7, 8 and 9): Density functional theoretical study

Vladimír Lukes, Peter Poliak, J. Matúska, 2019, Acta Chimica Slovaca.