The incarceration of oábenzyne and 27 other guest molecules within hemicarcerand 1, as reported experimentally by Warmuth, and Cover ChemEurJ on supramolecular NMR spectra of hemicarceplexes
We report here a computational study on a series of FeII, FeIII, and FeIV hydroxo/oxoiron complexes with a Cover IJQC on consistent spin and oxidation states of oxoiron complexes
Prof. Marcel Swart, director of the IQCC since 2015, was recently elected as member of Academia Europaea and IQCC Director elected as new member of Academia Europaea
After having won last year three times the poster prize at different conferences (Girona, Berlin, Liverpool), this week Transformation of a triplet to a quartet: QBIC-V Poster Prize
We report a combined experimental-theoretical study on the 31P NMR chemical shift for a number of trans-platinum(II) complexes. Cover Dalton Transactions on the 31P NMR of trans-platinum(II) complexes
Although the unusual structural, magnetic, electronic, and spin characteristics of manganocene has intrigued scientists for decades, a unified Covering the irony of manganocene in JCIM
Since 2015 the IQCC is organizing a Science Slam (first, second, third edition). Next week on Monday May IQCC Science Slam, May 13, 09.30h
The Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG) is a worldwide reference Summer scholarships for UdG students (beques d’estiu 2019)
Oxoiron(IV) species are the active oxidants in catalytic oxidation reactions by nonheme iron enzymes, but have been rarely Trapping of a Highly Reactive Oxoiron(IV) Complex
Today, Marcel Swart, Isaac Garcia-Bosch and co-workers report on catalytic aerobic oxidation of alcohols by copper complexes bearing Redox-active copper ligands with tunable H-bonding