Mimicking the full catalytic cycle of sMMO for the first time

Soluble methane monooxygenase (sMMO) carries out methane oxidation at 4 ñC and under ambient pressure in a catalytic Mimicking the full catalytic cycle of sMMO for the first time

Cover ChemEurJ on supramolecular NMR spectra of hemicarceplexes

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

Cover IJQC on consistent spin and oxidation states of oxoiron complexes

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

IQCC Director elected as new member of Academia Europaea

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

Transformation of a triplet to a quartet: QBIC-V Poster Prize

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

Cover Dalton Transactions on the 31P NMR of trans-platinum(II) complexes

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

Covering the irony of manganocene in JCIM

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

IQCC Science Slam, May 13, 09.30h

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

Summer scholarships for UdG students (beques d’estiu 2019)

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)

Trapping of a Highly Reactive Oxoiron(IV) Complex

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