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Vincenzo Barone

INSTM

106H-index
1.2KPaper Count
10.2WCitation Count
Published Papers 280
Publication Date
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A General Accuracy Ladder for Molecular Structures: From Bonds to Interaction-Driven; Transferable Building Blocks
errThe Journal of Physical Chemistry Letters
IF0
err2026-05-14
err0
PREAI
errLuigi Crisci; Lina Uribe; Federico Lazzari; Vincenzo Barone
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From Energies to Structures: PNO-F12 Geometry Optimization of Large Molecules for Near-Spectroscopic Accuracy
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-04
err0
PREAI
errLuigi Crisci; Federico Lazzari; Vincenzo Barone
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Pisa Composite Schemes Meet Master Equation Modeling for Accurate Pressure-Dependent Kinetics: HCI Elimination from 2-Chloropropene
errThe Journal of Physical Chemistry A
IF2.8
err2026-04-03
err0
PREAI
errLuigi Crisci; Federico Lazzari; Vincenzo Barone
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Accurate yet Affordable Molecular Structures: Rotational and Vibrational Spectroscopic Parameters of Substituted Aromatic Nitriles
errThe Journal of Physical Chemistry A
IF2.8
err2026-04-01
err0
PREAI
errLina Uribe; Luigi Crisci; Federico Lazzari; Marco Mendolicchio; Vincenzo Barone
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Integrated Computational Workflow for Molecular Spectroscopy: Rotational and Vibrational Signatures of Phenalene and Isomeric Dihydronaphthalenes
errACS Earth and Space Chemistry
IF2.9
err2026-03-09
err0
PREAI
errFederico Lazzari; Luigi Crisci; Marco Mendolicchio; Vincenzo Barone
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Rotational spectroscopy meets composite Pisa schemes: Structural determination of the atmospheric pollutants 1- and 2-nitronaphthalene
errSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
IF4.6
err2026-03-03
err0
errOAAI
errShefali Baweja; Marco Mendolicchio; Vincenzo Barone; M. Eugenia Sanz
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Accurate and Affordable Vibrational Spectra of Large Molecules: Primary; Auxiliary; and Spectator Modes in a Perturb-then-Diagonalize Framework
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-23
err0
errOAAI
errVincenzo Barone; Federico Lazzari; Marco Mendolicchio
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Spectroscopic Signatures and Photochemical Stability of the ClSO3 and ClOSO2 Radicals: New Benchmarks for Atmospheric and Astrochemical Models
errThe Astrophysical Journal
IF0
err2026-02-20
err0
errOAAI
errTarek Trabelsi; Luigi Crisci; Vincenzo Barone; Joseph S. Francisco
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Accurate Equilibrium Structures of Organic Radicals Made Accessible with Local-Correlation-Enhanced Pisa Composite Schemes
errJournal of Physical Chemistry Letters
IF4.6
err2026-02-01
err2
PREAI
errCrisci, Luigi; Lazzari, Federico; Barone, Vincenzo
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Formation routes, structures, and spectroscopic parameters of butyl isocyanides: the case of t-C4H9NC isomer in TMC-1
errMONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
IF4.8
err2025-12-01
err0
PREAI
errSrivastav, Satyam; Barone, Vincenzo; Vats, Akant; Pandey, Anshika; Crisci, Luigi; Mishra, Shivani; Pathak, Amit; Majumdar, Liton
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From Energies to Geometries: Development and Validation of a Robust yet Accurate Tool for Explicitly Correlated Structural Optimizations at an Affordable Cost
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-12-01
err0
PREAI
errCrisci, Luigi; Kallay, Mihaly; Barone, Vincenzo
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Unraveling molecular flexibility in prebiotic chemistry: Tiopronin under the lens of rotational spectroscopy and quantum chemistry
errSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
IF4.6
err2025-11-24
err0
PREAI
errLina Uribe; Sergio Mato; Luigi Crisci; Sofia Municio; Elena R. Alonso; José L. Alonso; Iker León; Vincenzo Barone
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Canonical and Rare Tautomers of Nucleobases and Their Taggants in the Gas Phase: A Benchmark Computational Study
errThe Journal of Physical Chemistry A
IF2.8
err2025-11-06
err0
PREAI
errLuigi Crisci; Federico Lazzari; Luca Di Fiore; Marco Mendolicchio; Vincenzo Barone
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Evolution of Hydrogen-Bonding Networks in Glycerol Dimer and Trimer: How Close Are They to Water Clusters?
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2025-11-01
err0
PREAI
errMa, Jiarui; Seifert, Nathan A.; Barone, Vincenzo; Fuse, Marco; Hazrah, Arsh S.; Mancini, Giordano; Xie, Fan; Insausti, Aran; Jager, Wolfgang; Xu, Yunjie
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From Molecular Bricks to Sustainable Nanomaterials: An Accurate and Scalable Unsupervised Workflow
errSMALL STRUCTURES
IF11.3
err2025-11-01
err0
errOAAI
errLazzari, Federico; Crisci, Luigi; Barone, Vincenzo
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Pushing the Boundaries of Spectroscopic Accuracy: from Small Sheet to Large Bowl Models of Graphene
errThe Journal of Physical Chemistry A
IF2.8
err2025-10-31
err0
PREAI
errLuigi Crisci; Federico Lazzari; Vincenzo Barone
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Cost-Effective Accuracy in Molecular Structures via Smart Databases; Topological Features; and Random Forests
errJournal of Chemical Theory and Computation
IF5.5
err2025-10-16
err0
PREAI
errFederico Lazzari; Luigi Crisci; Silvia Di Grande; Vincenzo Barone
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Five Structures of the Pro-Gly Dipeptide Unveiled by Laser Ablation Rotational Spectroscopy
errPhys. Chem. Chem. Phys.
IF0
err2025-10-16
err0
PREAI
errIker León; Elena Rita Alonso; Sofía Municio; Sergio Mato; Marco Mendolicchio; Santiago Mata; Carlos Cabezas; Vincenzo Barone; Jose Luis Alonso
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High-Fidelity Ring Fragments for Molecular Design and Spectroscopy: the PCS–LCB25–Nano-LEGO Framework
errJournal of Chemical Theory and Computation
IF5.5
err2025-10-16
err0
PREAI
errFederico Lazzari; Luigi Crisci; Vincenzo Barone
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errSave
One Basis Set to Rule Them All: Toward an Affordable Platinum Standard via Natural Orbital Thresholds
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-10-01
err1
PREAI
errDi Grande, Silvia; Kallay, Mihaly; Barone, Vincenzo
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Research Directions

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Co-authors
Cooperation Journals
A
Adri C. T. van Duin
H-index: 114 · Papers: 818
D
Dirk M. Guldi
H-index: 113 · Papers: 1.4K
M
Michael J. Frisch
H-index: 98 · Papers: 354
T
Tomás Torres⊗
H-index: 98 · Papers: 956
M
Modesto Orozco
H-index: 97 · Papers: 640
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