Prof. Dr. Valerije Vrcek

Profile

Academic positionFull Professor
Research fieldsTheoretical Chemistry: Electron Structure, Dynamics, Simulation,Organic Molecular Chemistry,Analytical Chemistry
Keywordsradicals, chlorination, computational chemistry, reaction mechanism, Carbocations, super acids, NMR, isotope effect

Current contact address

CountryCroatia
CityZagreb
InstitutionUniversity of Zagreb
InstituteFaculty of Pharmacy and Biochemistry
Homepagehttp://www.pharma.unizg.hr/en/about-us/staff/valerije--vrcek,391.html

Host during sponsorship

Prof. Dr. Hans-Ullrich SiehlInstitut für Organische Chemie, Universität Ulm, Ulm
Prof. Dr. Hans-Ullrich SiehlInstitut für Organische Chemie I, Universität Ulm, Ulm
Dr. Michael BühlMax-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr
Start of initial sponsorship01/02/2000

Programme(s)

1999Humboldt Research Fellowship Programme

Publications (partial selection)

2014Davor Sakic, Pavica Sonjic, Tana Tandaric, Tana, Valerije Vrcek: Chlorination of N-Methylacetamide and Amide-Containing Pharmaceuticals. Quantum-Chemical Study of the Reaction Mechanism.. In: The journal of physical chemistry A, 2014, 2367-2376
2013Tena Tarade, Valerije Vrcek: Reactivity of Amines with Hypochlorous Acid. Computational Study of Steric, Electronic, and Medium Effects.. In: International journal of quantum chemistry , 2013, 881-890
2013Florian Achrainer, Davor Sakic, Valerije Vrcek, Hendrik Zipse: The chemical fate of paroxetine metabolites. Dehydration of radicals derived from 4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine.. In: Organic & biomolecular chemistry , 2013, 4232-4239
2012Ivana Vinkovic Vrcek, Davor Sakic, Valerije Vrcek, Hendrik Zipse, Mladen Birus: Computational Study of Radical Derived from Hydroxyurea and Its Methylated Analogues. In: Organic & biomolecular chemistry , 2012, 1196-1206
2012Jasmina Lapic, Aleksandar Visnjevac, Mario Cetina, Senka Djakovic, Valerije Vrcek, Vladimir Rapic: Experimental and DFT study of cyclodehydration and acetylation of ferrocenyl diols. In: Journal of molecular structure , 2012, 7-15
2012Valerije Vrcek, Ivana Vinkovic Vrcek: Metals in organic and conventional wheat flours determined by an optimised and validated ICP-MS method. In: International Journal of Food Science and Technology , 2012, 1777-1783
2012Davor Šakić, Valerije Vrcek: Prereactive complexes in chlorination of benzene, triazine, and tetrazine. A quantum chemical study. In: Journal of physical chemistry A, 2012, 1298-1306
2011Davor Sakic, Hendrik Zipse, Valerije Vrcek: Base-catalyzed reactions of environmentally relevant N-chloro-piperidines. A quantum-chemical study. In: Organic & biomolecular chemistry , 2011, 4336-4346
2010Jasmina Lapić, Mario Cetina, Davor Šakić, Senka Djaković, Valerije Vrcek, Vladimir Rapić: Experimental and DFT study of 2-ferrocenylpropan-2-ol cyclodimerization products. In: Arkivoc , 2010, 257-268
2009Valerije Vrcek, Hendrik Zipse: Rearrangemements in Piperidine-Derived Nitrogen-Centered Radicals. A Quantum-Chemical Study. In: The Journal of Organic Chemistry, 2009, 2947-2957
2008Andela Saric, Valerije Vrcek, Michael Buhl: Density Functional Study of Protonated Formylmetallocenes.. In: Organometallics, 2008, 394-401
2007Valerije Vrcek: DFT Study of Rearrangements in Cyclopentylheptenyl Carbocations. In: Internationl Journal of Quantum Chemistry, 2007, 1772-1781
2006Valerije Vrcek, Michael Buhl: Conformational Analysis of Ferrocene-Containing Alcohols. A Density Functional Study of Weak OH...Fe Interactions.. In: Organometallics, 2006, 358-367
2006Valerije Vrcek, Ivana Vinkovic Vrcek, Hans-Ulrich Siehl: Quantum Chemical Study of Solvent and Substituent Effects on the 1,5-Hydride Shift in 2,6-Dimethyl-2-heptyl Cations. In: Journal of Physical Chemistry A, 2006, 1868-1874
2004Valerije Vrcek, Martin Saunders, Olga Kronja: A New Rearrangement in tert-Amyl Cation. In: Journal of the American Chemical Society, 2004, 13703-13708
2004Hans-Ullrich Siehl, Valerije Vrcek: Calculation of NMR Parameters in Carbocation Chemistry. In: Martin Kaupp, Michael Buhl, Vladimir G. Malkin, Calculation of NMR and EPR Parameters: Theory and Applications. Wiley-VCH, 2004.
2002Hans-Ullrich Siehl, Valerije Vrcek, Olga Kronja: Nondegenerate equilibrium in (2-propyl)cycloalkyl cations.Comparison of (2-propyl)cyclopentyl and (2-propyl)cyclohexyl cation using 13C NMR spectroscopy, equilibrium isotope effects and quantum chemical calculations.. In: J. Chem. Soc., Perkin Trans. 2, 2002, 106-113
2002Ivana Vinkovic Vrcek, Valerije Vrcek, Hans-Ullrich Siehl: Quantum chemical study of degenerate hydride shifts in acyclic tertiary carbocations. In: J. Phys. Chem. A , 2002, 1604
2002Ivica Malnar, Sandra Juric, Valerije Vrcek, Zeljka Kolano, Zlatko Mihalic, Olga Kronja: Solvolysis of 1,1-dimethyl-4-alkenyl chlorides; Evidence for pi-participation. In: J. Org. Chem., 2002, 1490
2001Valerije Vrcek, Ivana Vinkovic Vrcek, Olga Kronja: Mechanism of 1,2-Hydride Shift in Some Carbocations Involved in Steroid Biosynthesis.. In: Croatica Chemica Acta, 2001, 801-813
2001Zeljko Bajza, Valerije Vrcek: Thermal and enzymatic recovering of proteins from untanned leather waste.. In: Waste Management, 2001, 79-84
2000Valerije Vrcek, Hans-Ullrich Siehl, Olga Kronja: Biomimetic rearrangement of the 2-cyclopentyl-2-propyl cation. In: Journal of Physical Organic Chemistry, 2000, 616-619
1999Valerije Vrcek, Olga Kronja, Hans-Ullrich Siehl: Predictions of 13C chemical shifts in carbocations. The use of scaled chemical shifts calculated using GIAO DFT methods.. In: J. Chem. Soc., Perkin Trans. 2, 1999, 1317-1321
1998Valerije Vrcek, Vesna Caplar, Stanko Ursic: First Hydroxamic Seconucleoside Derivatives.. In: Croatica Chemica Acta, 1998, 119-123
1998Stanko Ursic, Valerije Vrcek, Danijel Ljubas, Ivana Vinkovic: Interaction of L-Ascorbate with Substituted Nitrosobenzenes - Role of the Ascorbate 2-OH Group in Antioxidant Reactions.. In: New Journal of Chemistry, 1998, 221-225