The oxidation of triphenylphosphine by perfluorinated phenaziniumF aluminate in difluorobenzene affords hexaaryl-1,2-diphosphonium dialuminate 1. Dication 12+ is valence isoelectronic with elusive hexaphenylethane, Hexaphenyl-1,2-Diphosphonium Dication [Ph3P–PPh3]2+: Superacid, Superoxidant, or Super Reagent?
In the Big Data era, a change of paradigm in the use of molecular dynamics is required. Trajectories The need to implement FAIR principles in biomolecular simulations
This week the Real Sociedad Española de Química (RSEQ) announced that Prof. Miquel Solà, full professor at the Institut de Química Computacional Prof. Miquel Solà receives the 2025 RSEQ Medal
The aim of the agreement is to analyze the molecules synthesized by IQCC researchers over the past three IQCC-UdG and Chemotargets join forces to give a second life to forgotten molecules in the laboratory
Aromaticity is a cornerstone concept in chemistry, playing a crucial role in understanding molecular stability and reactivity. Traditionally, Neutral All-Metal sigma-Aromaticity in a Rhombic Cluster
Every year in April since 2014 is organizing the Ciència en equip. It is a science fair mainly led by secondary school Ciència en Equip 2025 at IQCC
Molecules with nitrogen–nitrogen (N–N) bonds include diverse specialized metabolites from nature, but little is known about the underlying Structure and mechanism of haem-dependent nitrogen–nitrogen bond formation in piperazate synthase
On 25th of April will be the defense of the doctoral thesis of Gibu George, titled “Computational study and PhD defense Gibu George
On 24th of April will be the defense of the doctoral thesis of Michele Tomasini, titled “DFT calculation towards PhD defense Michele Tomasini
The ChemCatChem journal features on its front cover of the March 2025 issue the research article “Unveiling the Cover ChemCatChem on Unveiling the Catalytic Activity of Nickel(II) Complexes of Pentadentate Ligands in Aromatic Oxidations