DFT Study of the Direct Radical Scavenging Potency of Two Natural Catecholic Compounds von Amić, Ana, Mastiľák Cagardová, Denisa

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Design of Novel Generations of Planar Sunflower Molecules: Theoretical Comparative Study of Electronic Structure and Charge Transport Characteristics von Cagardová, Denisa, Matúška, Ján, Poliak, Peter, Lukeš, Vladimír

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Mactanamide and lariciresinol as radical scavengers and Fe2+ ion chelators – A DFT study von Amić, Ana, Cagardová, Denisa Mastiľák

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A DFT Study on the Kinetics of HOO•, CH3OO•, and O2•− Scavenging by Quercetin and Flavonoid Catecholic Metabolites von Amić, Ana, Mastiľák Cagardová, Denisa

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Chelates of 3- and 5-hydroxyflavone: Quantum chemical study von Michalík, Martin, Biela, Monika, Cagardová, Denisa, Lukeš, Vladimír

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Theoretical Study of Radical Inactivation, LOX Inhibition, and Iron Chelation: The Role of Ferulic Acid in Skin Protection against UVA Induced Oxidative Stress von Amić, Ana, Dimitrić Marković, Jasmina M., Marković, Zoran, Milenković, Dejan, Milanović, Žiko, Antonijević, Marko, Mastiľák Cagardová, Denisa, Rodríguez-Guerra Pedregal, Jaime

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Density-functional theoretical study of fluorination effect on the electronic structure and electron drift mobilities of symmetric pentacene derivatives von Lukeš, Vladimír, Cagardová, Denisa, Michalík, Martin, Poliak, Peter

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Theoretical comparative study of promising semiconducting aromatic molecules and their fluorinated counterparts von Cagardová, Denisa, Matúška, Ján, Michalík, Martin, Poliak, Peter, Lukeš, Vladimír

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Electronic structure and charge-transport properties of symmetric linear condensed bis-benzothiadiazole derivatives von Cagardová, Denisa, Michalík, Martin, Poliak, Peter, Lukeš, Vladimír

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Spectroscopic behavior of alloxazine-based dyes with extended aromaticity: Theory vs Experiment von Cagardová, Denisa, Truksa, Jan, Michalík, Martin, Richtár, Jan, Weiter, Martin, Krajčovič, Jozef, Lukeš, Vladimír

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Impact of molecular chain length on polarizabilities of model acenes and oligomers von Uhliar, Matej, Matúška, Ján, Cagardová, Denisa Mastiľák

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Theoretical study of lumichrome, 1-methyl-lumichrome and lumiflavin binding ability with thymine von Cagardová, Denisa, Michalík, Martin, Lukeš, Vladimír

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A DFT study of the antioxidant potency of α-tocopherol and its derivatives: PMHC, Trolox, and α-CEHC von Amić, Ana, Mastil'ák Cagardová, Denisa

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Influence of catecholic ring torsion on hydroxyflavones von Michalík, Martin, Biela, Monika, Cagardová, Denisa, Lukeš, Vladimír

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Quantum-chemical study of molecular structure and relative stability of trans and cis isomers of model anilide derivatives von Cagardová, Denisa, Poliak, Peter, Lukeš, Vladimír

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On local aromaticity of selected model aza-[n]circulenes (n = 6, 7, 8 and 9): Density functional theoretical study von Cagardová, Denisa, Lukeš, Vladimír, Matúška, Ján, Poliak, Peter

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Molecular orbital analysis of selected organic p-type and n-type conducting small molecules von Cagardová, Denisa, Lukeš, Vladimír

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DFT and ab initio calculations of ionization potentials, proton affinities and bond dissociation enthalpies of aromatic compounds von Cagardová, Denisa, Michalík, Martin, Klein, Erik, Lukeš, Vladimír, Marković, Zoran

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Quantum chemical study of electron structure and charge transport properties of symmetric acenequinones von Cagardová, Denisa, Michalík, Martin, Poliak, Peter, Lukeš, Vladimír

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Theoretical modeling of optical spectra of N(1) and N(10) substituted lumichrome derivatives von Cagardová, Denisa, Truksa, Jan, Michalík, Martin, Richtár, Jan, Krajčovič, Jozef, Weiter, Martin, Lukeš, Vladimír

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