Search Results - "Biskupič, S."

Cyclic Cluster Approach to Three-Dimensional Solids:  Quasi-Rrelativistic INDO Treatment by Zajac, A, Pelikán, P, Noga, J, Baňacky, P, Biskupič, S, Svrček, M

“…A recent implementation of the cluster crystal orbital (CCO) method for electron structure calculations of solids within the quasi-relativistic INDO treatment…”
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The Structure and Properties of Graphite Monofluoride Using the Three-Dimensional Cyclic Cluster Approach by Zajac, A., Pelikán, P., Minár, J., Noga, J., Straka, M., Baňacký, P., Biskupič, S.

“…In this paper, we present the theoretical study of the crystal and electron structure of an intercalated compound of graphite —the graphite monofluoride {CF}n…”
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Electron structure of polysilanes. Are these polymers one-dimensional systems? by Pelikán, P., Košuth, M., Biskupič, S., Noga, J., Straka, M., Zajac, A., Baňacký, P.

“…Electron structures of polysilane, 1‐methyl polysilane, 1,1‐dimethyl polysilane, 1‐phenyl polysilane, 1,1‐diphenyl polysilane, and 1‐methyl 1‐phenyl polysilane…”
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The vibrational and NMR spectra, conformations and ab initio calculations of 1-aminoethylidene propanedinitrile and its N -methyl derivatives by Gatial, A., Sklenák, Š., Milata, V., Biskupič, S., Salzer, R., Scheller, D., Woelki, G.

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Anion radicals of [60]fullerenes. An EPR study by Staško, A., Brezová, V., Rapta, P., Biskupič, S., Dinse, K. -P., Gügel, A.

“…Photochemically induced electron transfer in homogeneous systems (using triethylamine donor) and heterogeneous systems (using photoexcited TiO2 suspension) was…”
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Kinetics of Hydroxyl Radical Spin Trapping in Photoactivated Homogeneous (H2O2) and Heterogeneous (TiO2, O2) Aqueous Systems by Brezova, V, Stasko, A, Biskupic, S, Blazkova, A, Havlinova, B

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Adiabatic correction to the energy of molecular systems: the CPHF equivalent of the Born–Handy formula by Svrček, M., Baňacký, P., Biskupič, S., Noga, J., Pelikán, P., Zajac, A.

“…The Born–Handy formula, recently shown by Kutzelnigg to be a rigorous expression for the calculation of the adiabatic correction, has been, on the level of a…”
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The vibrational and NMR spectra, conformations and ab initio calculations of phenylaminomethylene- and 1-phenylaminoethylidene-propanedinitrile by Gatial, A., Milata, V., Zalibera, L., Biskupič, S., Salzer, R.

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The vibrational and NMR spectra, conformations and ab initio calculations of 3-methoxymethylene-2,4-pentanedione by Gatial, A, Herzog, K, Milata, V, Zalibera, L’, Biskupic, S, Salzer, R

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The vibrational and NMR spectra, conformations and ab initio calculations of methoxymethylene- and 1-methoxyethylidene- propanedinitrile by Gatial, A., Sklenák, Š, Milata, V., Biskupič, S., Zalibera, L'., Salzer, R.

“…The IR and Raman spectra of methoxymethylene-propanedinitrile [H 3COCHC(CN) 2] and 1-methoxyethylidene-propanedinitrile [H 3COC(CH 3)C(CN) 2] as a solid,…”
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Antioxidant properties of liqueurs – an EPR study by Staško, A., Slovak University of Technology, Bratislava (Slovak Republic), Brezová, V., Slovak University of Technology, Bratislava (Slovak Republic), Biskupič, S., Slovak University of Technology, Bratislava (Slovak Republic), Rapta, P., Slovak University of Technology, Bratislava (Slovak Republic)

“…Antioxidant capacities of eleven commercially available liqueurs were investigated by electron paramagnetic resonance (EPR) spectroscopy using…”
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Tokay wines as scavengers of free radicals (an EPR study) by Staško, Andrej, Polovka, Martin, Brezová, Vlasta, Biskupič, Stanislav, Malı́k, Fedor

“…Wines are increasingly considered to be beneficial to health, so we expanded our previous investigations of red and white wines to Tokay wines, employing…”
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EPR Study of Fullerene Radicals Generated in Photosensitized TiO2 Suspensions by Stasko, Andrej, Brezova, Vlasta, Biskupic, Stanislav, Dinse, Klaus-Peter, Schweitzer, Peter, Baumgarten, Martin

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EPR study of photoinduced reduction of nitroso compounds in titanium dioxide suspensions by BREZOVA, Vlasta, TARABEK, Peter, DVORANOVA, Dana, STASKO, Andrej, BISKUPIC, Stanislav

“…The radical intermediates produced upon UV irradiation of deoxygenated alcoholic titanium dioxide suspensions of nitrosobenzene, nitrobenzene,…”
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A spin probe study of the effects of chlorpromazine and its derivatives on lipid-protein interactions in synaptosomal membranes by Ondrias, K, Biskupic, S, Stasko, A, Pogády, J

“…The electron spin resonance spectra of 16-doxyl stearic acid (16-SA) incorporated into synaptosomes mostly showed a fluid lipid component and a minor…”
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Additions and Corrections - Kinetics of Hydroxyl Radical Spin Trapping in Photoactivated Homogenous (H2O2) and Heterogeneous (TiO2, O2) Aqueous Systems by Brezova, V, Stalko, A, Biskupic, S, Blazkova, A, Havlinova, B

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Many-body diagrammatic treatment of electronic g-tensor by BISKUPIC, S, KVASNICKA, V

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Ab initio study of small organic azides by Sklenák, Š., Gatial, A., Biskupič, S.

“…Ab initio MP2(full)/TZ2P//MP2(full)/TZ2P calculations of the following organic alkyl azides were carried out: hydrazoic acid ( 1), methyl azide ( 2), ethyl…”
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Many-body diagrammatic treatment of electronicg-tensor by Biskupič, S., Kvasnička, V.

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Calculation of spin-density matrix by diagrammatic perturbation theory by BISKUPIC, S, KVASNICKA, V

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