Vincenzo Barone, Ph.D.

Chemistry Scuola Normale Superiore di Pisa 
Theoretical Chemistry
"Vincenzo Barone"
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Léon I, Tasinato N, Spada L, et al. (2021) Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy. Chempluschem
Mendolicchio M, Bloino J, Barone V. (2021) General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups. Journal of Chemical Theory and Computation
Potenti S, Spada L, Fusè M, et al. (2021) 4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution. Acs Omega. 6: 13170-13181
Melli A, Barone V, Puzzarini C. (2021) Unveiling Bifunctional Hydrogen Bonding with the Help of Quantum Chemistry: The Imidazole-Water Adduct as Test Case. The Journal of Physical Chemistry. A. 125: 2989-2998
d'Ischia M, Manini P, Martins Z, et al. (2021) Insoluble organic matter in chondrites: Archetypal melanin-like PAH-based multifunctionality at the origin of life? Physics of Life Reviews. 37: 65-93
Yang Q, Fusè M, Bloino J, et al. (2021) Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 254: 119631
Alonso ER, Fusè M, León I, et al. (2021) Exploring the Maze of Cycloserine Conformers in the Gas Phase Guided by Microwave Spectroscopy and Quantum Chemistry. The Journal of Physical Chemistry. A
Barone V, Ceselin G, Fusè M, et al. (2020) Accuracy Meets Interpretability for Computational Spectroscopy by Means of Hybrid and Double-Hybrid Functionals. Frontiers in Chemistry. 8: 584203
Lei J, Alessandrini S, Chen J, et al. (2020) Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex. Molecules (Basel, Switzerland). 25
Mancini G, Fusè M, Lazzari F, et al. (2020) Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm. The Journal of Chemical Physics. 153: 124110
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