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Journal of Molecular Modeling|May 14, 2021
Radical scavenger competition of alizarin and curcumin: a mechanistic DFT study on antioxidant activityMalek Sadatsharifi, Mihály Purgel
Environmental Science. Processes & Impacts|July 21, 2021
The fate of a hazardous herbicide: a DFT-based ab initio study on glyphosate degradationMalek Sadatsharifi, Daniel W Ingersoll, Mihály Purgel
Inorganic Chemistry|April 28, 2018
DFT Study on the Mechanism of Hydrogen Storage Based on the Formate-Bicarbonate Equilibrium Catalyzed by an Ir-NHC Complex: An Elusive Intramolecular C-H ActivationPéter Pál Fehér, Henrietta Horváth, Ferenc Joó, et al.
Dalton Transactions (Cambridge, England : 2003)|November 1, 2019
The mechanism of monochloramine disproportionation under acidic conditionsPéter Pál Fehér, Mihály Purgel, Adrienn Lengyel, et al.
Inorganic Chemistry|June 7, 2011
Binuclear Pt-Tl bonded complex with square pyramidal coordination around Pt: a combined multinuclear NMR, EXAFS, UV-Vis, and DFT/TDDFT study in dimethylsulfoxide solutionMihály Purgel, Mikhail Maliarik, Julius Glaser, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 30, 2014
Solvatochromic study of highly fluorescent alkylated isocyanonaphthalenes, their π-stacking, hydrogen-bonding complexation, and quenching with pyridineMiklós Nagy, Dávid Rácz, László Lázár, et al.
The Journal of Physical Chemistry. B|August 3, 2016
Gas-Phase Interaction of Anions with Polyisobutylenes: Collision-Induced Dissociation Study and Quantum Chemical ModelingLajos Nagy, Ákos Kuki, György Deák, et al.
Inorganic Chemistry|April 8, 2010
An NMR and DFT investigation on the conformational properties of lanthanide(III) 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate analogues containing methylenephosphonate pendant armsMihály Purgel, Zsolt Baranyai, Andrés de Blas, et al.
Journal of Mass Spectrometry : JMS|January 21, 2015
Chiral differentiation of the noscapine and hydrastine stereoisomers by electrospray ionization tandem mass spectrometryTibor Nagy, Ákos Kuki, Borbála Antal, et al.
Journal of the American Society for Mass Spectrometry|December 2, 2015
Can Nonpolar Polyisobutylenes be Measured by Electrospray Ionization Mass Spectrometry? Anion-Attachment Proved to be an Appropriate MethodLajos Nagy, Tibor Nagy, György Deák, et al.
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