Vincenzo Barone at Scuola Normale Superiore - Research Interests, Publications & Academic Profile

Vincenzo Barone

Full professor

Scuola Normale Superiore

Italy

Has grant

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Research Interests

Physical Chemistry

100%

Organic Chemistry

90%

Molecular Physics

100%

Gas Phase Chemistry

60%

Electronic Structure

50%

Chemical Reaction

30%

Chemistry

30%

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Recent Grants

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Development of a Research Environment for Advanced Modelling of Soft matter

Open Date: 2013-02-01

Close Date: 2018-01-31

Articles20

Revisiting Stereoselective Propene Polymerization Mechanisms: Insights through the Activation Strain Model

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2024

Relevance of the P+O2 Reaction for PO Formation in Astrochemical Environments: Electronic Structure Calculations and Kinetic Simulations

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2024

Reconciling Accuracy and Feasibility for Barrierless Reaction Steps by the PCS/DDCI/MC-PDFT Protocol: Methane and Ethylene Dissociations as Case Studies

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2024

Accurate Vibrational and Ro-Vibrational Contributions to the Properties of Large Molecules by a New Engine Employing Curvilinear Internal Coordinates and Vibrational Perturbation Theory to Second Order

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2024

The Semiexperimental Approach at Work: Equilibrium Structure of Radical Species

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2024

Accurate structures and rotational constants of bicyclic monoterpenes at DFT cost by means of the bond-corrected Pisa composite scheme (BPCS)

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2024

A new chapter in the never ending story of cycloadditions: The puzzling case of SO2 and acetylene

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2024

Toward Accurate Quantum Chemical Methods for Molecules of Increasing Dimension: The New Family of Pisa Composite Schemes

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2024

Unbiased Comparison between Theoretical and Experimental Molecular Structures and Properties: Toward an Accurate Reduced-Cost Evaluation of Vibrational Contributions

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2024

Accurate Structures and Rotational Constants of Steroid Hormones at DFT Cost: Androsterone, Testosterone, Estrone, β-Estradiol, and Estriol

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2024

Toward the Detection of Cyanoketene in the Interstellar Medium: New Hints from Quantum Chemistry and Rotational Spectroscopy

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Year:

2023

Accurate thermochemistry at affordable cost by means of an improved version of the JunChS‐F12 model chemistry

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Year:

2023

DFT Meets Wave-Function Methods for Accurate Structures and Rotational Constants of Histidine, Tryptophan, and Proline

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2023

PCS/Bonds and PCS0: Pick your molecule and get its accurate structure and ground state rotational constants at DFT cost

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Year:

2023

Accurate Structures and Spectroscopic Parameters of Guanine Tautomers in the Gas Phase by the Pisa Conventional and Explicitly Correlated Composite Schemes (PCS and PCS-F12)

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2023

DFT Meets Wave-Function Composite Methods for Characterizing Cytosine Tautomers in the Gas Phase

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2023

Competition between Abstraction and Addition Channels for the Reaction between the OH Radical and Vinyl Alcohol in the Interstellar Medium

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2023

Accuracy Meets Feasibility for the Structures and Rotational Constants of the Molecular Bricks of Life: A Joint Venture of DFT and Wave-Function Methods

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2023

Reliable Gas Phase Reaction Rates at Affordable Cost by Means of the Parameter-Free JunChS-F12 Model Chemistry

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Year:

2023

Toward Spectroscopic Accuracy for the Structures of Large Molecules at DFT Cost: Refinement and Extension of the Nano-LEGO Approach

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Year:

2023

Collaborators7

Giovanni TALARICO

Università degli Studi di Napoli Federico II

ITALY

Mattia Melosso

Junior Assistant Professor

University of Bologna

ITALY

LUCA DORE

Professore associato

University of Bologna

ITALY

Juan García de la Concepción

Profesor Ayudante Doctor

Universidad de Extremadura

SPAIN

Claudio De Rosa

University of Naples Federico II

ITALY

Mihály Kállay

Budapest University of Technology and Economics

HUNGARY

Emilio Martinez-Nunez

Profesor catedrático

Universidade de Santiago de Compostela

SPAIN

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