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Use of AM1 and PM3 methods for the investigation of energies and structures of compounds O=PXYZ, S=PXYZ

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← Parameters of MNDO method for Zn atom

Structure and energy characteristic of [Mg(H3O)n]2+ and [Mg(H2O)n?1OH]+ complexes according to data from MNDO calculations →

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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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