Vincenzo Barone, Ph.D.
Affiliations: | Chemistry | Scuola Normale Superiore di Pisa |
Area:
Theoretical ChemistryWebsite:
http://idea.sns.it/people/vincenzo_baroneGoogle:
"Vincenzo Barone"Mean distance: 11.68
Children
Sign in to add trainee| Filippo Lipparini | grad student | 2010-2013 | Scuola Normale Superiore di Pisa |
| Alberto Baiardi | grad student | 2014-2018 | Scuola Normale Superiore |
| Sergio Rampino | research scientist | Scuola Normale Superiore |
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Publications
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| Barone V, Lazzari F. (2023) Hunting for Complex Organic Molecules in the Interstellar Medium: The Role of Accurate Low-Cost Theoretical Geometries and Rotational Constants. The Journal of Physical Chemistry. A. 127: 10517-10527 |
| Ballotta B, Martínez-Núñez E, Rampino S, et al. (2023) New prebiotic molecules in the interstellar medium from the reaction between vinyl alcohol and CN radicals: unsupervised reaction mechanism discovery, accurate electronic structure calculations and kinetic simulations. Physical Chemistry Chemical Physics : Pccp. 25: 22840-22850 |
| Ceselin G, Salta Z, Bloino J, et al. (2022) Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection. The Journal of Physical Chemistry. A. 126: 2373-2387 |
| Mancini G, Fusè M, Lipparini F, et al. (2022) Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters. Journal of Chemical Theory and Computation. 18: 2479-2493 |
| Melli A, Tonolo F, Barone V, et al. (2021) Extending the Applicability of the Semi-experimental Approach by Means of "Template Molecule" and "Linear Regression" Models on Top of DFT Computations. The Journal of Physical Chemistry. A. 125: 9904-9916 |
| Ceselin G, Barone V, Tasinato N. (2021) Accurate Biomolecular Structures by the Nano-LEGO Approach: Pick the Bricks and Build Your Geometry. Journal of Chemical Theory and Computation. 17: 7290-7311 |
| 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 |
| Del Galdo S, Fusè M, Barone V. (2020) CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach. Frontiers in Chemistry. 8: 584 |
| Melli A, Potenti S, Melosso M, et al. (2020) A journey from thermally-tunable synthesis to spectroscopy of phenylmethanimine in gas-phase and solution. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| Mancini G, Del Galdo S, Chandramouli B, et al. (2020) Computational spectroscopy in solution by integration of variational and perturbative approaches on top of clusterized molecular dynamics. Journal of Chemical Theory and Computation |