This week a new book on “Spin states in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity” has been published. The book is a recollection of a number of contributions from frontline eminent researchers from all over the world, and is the first textbook that deals entirely with spin states. The book has been
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Dr. Sílvia Osuna has been awarded a ‘ERC Starting Grant’ (ERC-StG-2015-679001) grant for the project ‘Network Models for the Computational Design of Proficient Enzymes’. NetMoDEzyme project aims to develop a new computational protocol based on network models for the routine design of enzymes for any target reaction of pharmaceutical interest. The ability of routinely designing
This October, our former member of IQCC Eloy Ramos-Córdoba was awarded the Premi Extraordinari for the best PhD thesis in 2014 from the University of Girona. Last year, he defended with success his PhD thesis on “Development of new tools for local electron distribution analysis”, supervised by Pedro Salvador. Now, Eloy is continuing his research as a postdoc
Today a new paper was published in Eur. J. Inorg. Chem. on the mechanism of CO2 fixation by Ir-X bonds. S.V.C. Vummaleti, G. Talarico, S.P. Nolan, L. Cavallo, and A. Poater “Mechanism of CO2 Fixation by IrI -X Bonds (X = OH, OR, N, C)” Eur. J. Inorg. Chem. 2015, 2015, 4653-4657 DOI: 10.1002/ejic.201500905 It
Today a new paper was published in ChemistryOpen on phosphanylthiolato platinum(II) complexes. J. Duran, A. Polo, J. Real, J. Benet-Buchholz, M. Solà, and A. Poater “Structural Preferences in Phosphanylthiolato Platinum(II) Complexes” ChemistryOpen 2016, 5, 51-59 DOI: 10.1002/open.201500136 It was a collaboration of Albert Poater and Miquel Solà with Prof. Polo, and featured on the cover of
Today a new paper was published in Chem. Eur. J. on understanding fullerenes’ reactivity. F.M. Bickelhaupt, M. Solà, and I. Fernández “Understanding the Reactivity of Endohedral Metallofullerenes: C78 versus Sc3 N@C78 ” Chem. Eur. J. 2015, 21, 5760-5768 DOI: 10.1002/chem.201500067 It was a collaboration of Miquel Solà with Prof. Bickelhaupt, and featured on the Cover
This October, our former member of IQCC Irene Prat was awarded the Premi Extraordinari for the best PhD thesis in 2017 from the University of Girona. Last year, she defended with success her PhD thesis on “Bioinspired non-heme iron catalysts for challenging oxidative transformations: mechanistic studies and catalytic applications on selective alkane hydroxylation and alkene cis-dihydroxilation”, supervised by
Today a new paper was published in Chem. Eur. J. on the energy surfaces for a range of clusters of E2P4 (E=group 13 element). A.C. Castro, E. Osorio, J.L. Cabellos, E. Cerpa, E. Matito, M. Solà, M. Swart, and G. Merino “Exploring the Potential Energy Surface of E2 P4 Clusters (E=Group?13 Element): The Quest for Inverse
Today a new paper was published in Angew. Chem. Int. Ed. on the aromaticity of fullerenes. M. Garcia-Borràs, S. Osuna, M. Swart, J.M. Luis, and M. Solà “Maximum Aromaticity as a Guiding Principle for the Most Suitable Hosting Cages in Endohedral Metallofullerenes” Angew. Chem. Int. Ed. 2013, 52, 9275-9278 DOI: 10.1002/anie.201303636 It also featured on
Today a new paper was published in J. Am. Chem. Soc. on palladium-mediated generation of hydrogen from formic acid. J. Broggi, V. Jur?ík, O. Songis, A. Poater, L. Cavallo, A.M.Z. Slawin, and C.S.J. Cazin “The Isolation of [Pd{OC(O)H}(H)(NHC)(PR3 )] (NHC = N-Heterocyclic Carbene) and Its Role in Alkene and Alkyne Reductions Using Formic Acid” J. Am.