Vincenzo Barone

Full professor

Scuola Normale Superiore

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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

Articles (20)

Collaborators (8)

Cristina Puzzarini

Professore Ordinario

University of Bologna

Giovanni TALARICO

Università degli Studi di Napoli Federico II

Mattia Melosso

Junior Assistant Professor

University of Bologna

LUCA DORE

Professore associato

University of Bologna

Juan García de la Concepción

Profesor Ayudante Doctor

Universidad de Extremadura

Claudio De Rosa

University of Naples Federico II

Mihály Kállay

Budapest University of Technology and Economics

Emilio Martinez-Nunez

Profesor catedrático

Universidade de Santiago de Compostela

Vincenzo Barone

Research Interests

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Contact this professor

Recent Grants

Articles (20)

Collaborators (8)

Cristina Puzzarini

Giovanni TALARICO

Mattia Melosso

LUCA DORE

Juan García de la Concepción

Claudio De Rosa

Mihály Kállay

Emilio Martinez-Nunez

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Vincenzo Barone

Research Interests

Explore related searches

Contact this professor

Recent Grants

Articles (20)

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

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

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

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

The Semiexperimental Approach at Work: Equilibrium Structure of Radical Species

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

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

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

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

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

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

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

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

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

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)

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

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

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

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

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

Collaborators (8)

Cristina Puzzarini

Giovanni TALARICO

Mattia Melosso

LUCA DORE

Juan García de la Concepción

Claudio De Rosa

Mihály Kállay

Emilio Martinez-Nunez

How do I reach out?

Meet Kite AI