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Showing 1 to 1 of 1 for “"SCTST"”.

  1. SEMICLASSICAL APPROACHES FOR RATE CONSTANT CALCULATIONS AND VIBRATIONAL SPECTROSCOPY

    … come Semiclassical Transition State Theory (SCTST). Dal punto di vista della cinetica chimica, viene sviluppato il programma FDACC per facilitare il calcolo delle costanti anarmoniche su architetture parallele, interfacciandosi con codici ab initio, permettendo così l'applicazione della …

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