Category: Covers

Chem. Comm. Cover on Chemical Reactivity of Endohedral HF@C60

A group of chemists from the Universidad Complutense de Madrid lead by Prof. Nazario Martín and from the University of Southampton lead by Prof. Richard J. Whitby together with the IQCC members Sílvia Osuna, Miquel Solà, and Marc Garcia-Borràs (ex-member of the IQCC, now in UCLA) have reported the first chemical modification on the endohedral

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Chem. Eur. J. cover on [2+2+2] Cycloaddition of Acetylene and C60

Today a paper was published by Agustí Lledó, Anna Roglans and Miquel Solà on “A Computational Study of the Intermolecular [2+2+2] Cycloaddition of Acetylene and C60 Catalyzed by Wilkinson’s Catalyst”. It is accompanied by the Cover picture. A. Artigas, A. Lledó, A. Pla-Quintana, A. Roglans, and M. Solà “A Computational Study of the Intermolecular [2+2+2]

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Reactivity of Ion-Encapsulated Fullerenes: Back cover of Chem. Eur. J.

Yago García-Rodeja and Israel Fernández (Univ. Complutense de Madrid), Miquel Solà from the Institute of Computational Chemistry and Catalysis (IQCC) and F. Matthias Bickelhaupt from the Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling (ACMM) in the Vrije Universiteit Amsterdam (usual collaborator of the IQCC) have studied the influence of the encapsulation of

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Back-Cover PCCP on Supramolecular NMR

Today a paper was published by Abril Castro, Marcel Swart and Célia Fonseca Guerra on the “Influence of Substituents and Environment on NMR Shielding Constants of Supramolecular Complexes based on A-T and A-U Base Pairs” in Phys. Chem. Chem. Phys. 2017, 19, 13496-13502: In the present study, we have theoretically analyzed supramolecular complexes based on the Watson–Crick A–T and

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Olefin metathesis at cover of Catalysts

Density functional theory (DFT) calculations have been used to describe the first turnover of an olefin metathesis reaction calling for a new in silico family of homogenous Ru-based catalysts bearing a phosphine–phosphonium ylide ligand, with ethylene as a substrate. Equal to conventional Ru-based catalysts bearing an N-heterocyclic carbene (NHC) ligand, the activation of these congeners

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Selection of ligands or ratafia ingredients at cover of J. Org. Chem.

Achieving high selectivity among different nucleophiles has been a hard nut to crack in Cu-catalyzed Ullmann C–O and C–N couplings. The cover art of the Journal of Organic Chemistry illustrates that a precise selection of the auxiliary ligand is the key to achieving orthogonal selectivities in the arylation of mixed nucleophiles. In a similar manner,

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The incredible Hückel. A back cover of Chem. Eur. J.

Jordi Poater (ICREA Research Professor at Univ. Barcelona, ex-IQCC member), Miquel Solà from the Institute of Computational Chemistry and Catalysis (IQCC) and Clara Viñas and Francesc Teixidor from the Institute of Materials Science of Barcelona (CSIC, ICMAB) have shown that aromatic closo boron hydride clusters can be categorized into different series, according to the n value of the Hückel

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Celebrating 150th anniversary of Kekulé’s benzene structure

A themed PCCP issue with a collection of articles on “Electron delocalization and aromaticity: Celebrating the 150th Anniversary of the Kekulé Benzene Structure” has been edited by Prof. Dr. Gabriel Merino from CINVESTAT (Mérida) and Miquel Solà from the Institute of Computational Chemistry and Catalysis (IQCC). These researchers have written the corresponding editorial and designed

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Review on allenes featured on the cover of Chem. Soc. Rev.

A tutorial review on the use of allenes in transition metal catalyzed cyclodadditions has been recently published in Chemical Society Reviews by three members of the IQCC. The work –authored by Agustí Lledó, Anna Pla-Quintana and Anna Roglans– has been highlighted on the inside front cover of the April 21st issue.

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