Prof. Dr. Valerije Vrcek

Profil

Derzeitige StellungProfessor W-3 und Äquivalente
FachgebietTheoretische Chemie: Elektronenstruktur, Dynamik, Simulation,Organische Molekülchemie,Analytische Chemie
Keywordsradicals, chlorination, computational chemistry, reaction mechanism, Carbocations, super acids, NMR, isotope effect

Aktuelle Kontaktadresse

LandKroatien
OrtZagreb
Universität/InstitutionUniversity of Zagreb
Institut/AbteilungFaculty of Pharmacy and Biochemistry
Websitehttp://www.pharma.unizg.hr/en/about-us/staff/valerije--vrcek,391.html

Gastgeber*innen während der Förderung

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
Beginn der ersten Förderung01.02.2000

Programm(e)

1999Humboldt-Forschungsstipendien-Programm

Publikationen (Auswahl)

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