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Vincenzo Barone on Muck Rack

Vincenzo Barone

As seen in: Color Research & Application, Nature, Wiley Online Library, Corriere Della Sera, Il Sole 24 Ore, MDPI, ACS Publications, Bored Panda, Royal Society of Chemistry, Cell Press and
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Articles

Mode-Selective Dual-Level Vibrational Perturbation Theory Assisted by Machine Learning for Rotational and Vibrational Spectra of Benzoic Acid and Aspirin Click to copy article link Article link copied!

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By Vincenzo Barone, Joel Bowman, Luigi Crisci
| ACS Publications
Abstract Click to copy section linkSection link copied! The rigid-rotor/harmonic-oscillator model is often insufficient for unbiased comparison with high-resolution microwave data and infrared measurements of medium-sized molecules, but direct high-level anharmonic force fields are rarely affordable for targets with many tens of normal modes.
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From Energies to Structures: PNO-F12 Geometry Optimization of Large Molecules for Near-Spectroscopic Accuracy Click to copy article link Article link copied!

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By Luigi Crisci, Federico Lazzari, Vincenzo Barone
| dx.doi.org
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Pisa Composite Schemes Meet Master Equation Modeling for Accurate Pressure-Dependent Kinetics: HCI Elimination from 2-Chloropropene Click to copy article link Article link copied!

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By Luigi Crisci, Federico Lazzari, Vincenzo Barone
| dx.doi.org
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