Vincenzo Barone

National Interuniversity Consortium of Materials Science and Technology — Italy

Physics and Astronomy · Physical Sciences

106h-index101.6kcitations1.2kworks6.02yr avg
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Research Topics

Advanced Chemical Physics Studies(433), Spectroscopy and Quantum Chemical Studies(326), Photochemistry and Electron Transfer Studies(267), Molecular Spectroscopy and Structure(144), Free Radicals and Antioxidants(121)

Publications1.2k total

Accurate and Affordable Vibrational Spectra of Large Molecules: Primary, Auxiliary, and Spectator Modes in a Perturb-then-Diagonalize Framework
Journal of Chemical Theory and Computation·2026Open Access
Spectroscopic Signatures and Photochemical Stability of the ClSO <sub>3</sub> and ClOSO <sub>2</sub> Radicals: New Benchmarks for Atmospheric and Astrochemical Models
The Astrophysical Journal·2026Open Access
Accurate Equilibrium Structures of Organic Radicals Made Accessible with Local-Correlation-Enhanced Pisa Composite Schemes
The Journal of Physical Chemistry Letters·2026
Chlorine–sulfur oxides in the Venusian atmosphere: Benchmark data from computational spectroscopy
The Journal of Chemical Physics·2026
From Energies to Geometries: Development and Validation of a Robust yet Accurate Tool for Explicitly Correlated Structural Optimizations at an Affordable Cost
The Journal of Physical Chemistry Letters·2025
Unraveling molecular flexibility in prebiotic chemistry: Tiopronin under the lens of rotational spectroscopy and quantum chemistry
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·2025
Evolution of Hydrogen-Bonding Networks in Glycerol Dimer and Trimer: How Close Are They to Water Clusters?
Journal of the American Chemical Society·2025
From Molecular Bricks to Sustainable Nanomaterials: An Accurate and Scalable Unsupervised Workflow
Small Structures·2025Open Access
Formation routes, structures, and spectroscopic parameters of butyl isocyanides: the case of <i>t</i> -C4H9NC isomer in TMC-1
Monthly Notices of the Royal Astronomical Society·2025Open Access
Canonical and Rare Tautomers of Nucleobases and Their Taggants in the Gas Phase: A Benchmark Computational Study
The Journal of Physical Chemistry A·2025
Pushing the Boundaries of Spectroscopic Accuracy: from Small Sheet to Large Bowl Models of Graphene
The Journal of Physical Chemistry A·2025· 1 cited
One Basis Set to Rule Them All: Toward an Affordable Platinum Standard via Natural Orbital Thresholds
Journal of Chemical Theory and Computation·2025· 2 cited
Cost-Effective Accuracy in Molecular Structures via Smart Databases, Topological Features, and Random Forests
Journal of Chemical Theory and Computation·2025· 5 cited
High-Fidelity Ring Fragments for Molecular Design and Spectroscopy: the PCS–LCB25–Nano-LEGO Framework
Journal of Chemical Theory and Computation·2025· 6 cited
Author response for "Five Structures of the Pro-Gly Dipeptide Unveiled by Laser Ablation Rotational Spectroscopy"
2025
Benchmark Equilibrium Structures of Nucleobase Tautomers Validated Against Experimental Rotational Constants
The Journal of Physical Chemistry A·2025· 2 cited
Intramolecular Hydrogen Bonds and Proton Transfer: Quantum-Chemical Benchmarks for Structural and Energetic Properties
The Journal of Physical Chemistry A·2025· 4 cited
Accurate, Affordable and Unsupervised: Analytical F12 Gradients Driven by Generalized Internal Coordinates
The Journal of Physical Chemistry Letters·2025· 11 cited
Anharmonicity in Molecular Crystals: Generalized Perturbation Theory Meets Periodic Computations
The Journal of Physical Chemistry Letters·2025Open Access
Author response for "Five Structures of the Pro-Gly Dipeptide Unveiled by Laser Ablation Rotational Spectroscopy"
2025
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Frequent Co-authors

Maurizio Cossi(15), Julien Bloino(10), Carlo Adamo(8), Giovanni Scalmani(8), Jacopo Tomasi(8), Roberto Improta(7), Małgorzata Biczysko(7), Fabrizio Santoro(5), Nadia Rega(4), Benedetta Mennucci(4), Michael J. Frisch(4), Roberto Cammi(3), Alessandro Lami(3), Éric Cancès(2), Frank Neese(2), Cristina Puzzarini(2), Maurizio Casarin(1), Daniel Forrer(1), Michele Pavone(1), Mauro Sambi(1)