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Another way to implement the Powell formula for updating Hessian matrices related to transition structures

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← Remarks on large-scale matrix diagonalization using a Lagrange-Newton-Raphson minimization in a subspace

Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane →

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Nil Roig and Omkar Charapale win poster prize at the CBOND2026
Pedro Salvador Elected President of the European Committee for Chemical Bonding
Cover Org. Chem. Front. on a modular family of chiral cavitand receptors: tuning the chiroptical response of achiral fullerene guests
IQCC Science Slam 2026, September 29th 12:30h
PhD defense Clara Sabrià Figueras

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The Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG) is a worldwide reference unit in computational chemistry and catalysis that aims at carrying out groundbreaking research on predictive chemistry for catalysis, with special focus on the processes occurring at the confined space for the coming years. [More]

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