Vincenzo Barone

Publication Activity (10 Years)

Years Active: 1994-2024
Publications (10 Years): 16

Top Topics

Virtual Reality

Computer Animation

Summary Statistics

Top Venues

J. Comput. Chem.

Publications

Zoi Salta, Oscar N. Ventura, Nadjib Rais, Nicola Tasinato, Vincenzo Barone
and acetylene. J. Comput. Chem. 45 (18) (2024)
Olga D'Anania, Eugenio Romano, Vincenzo Barone, Giovanni Talarico
Predicting the propene stereoselectivity on transition metal catalysts: A daunting task for density functional theory. J. Comput. Chem. 45 (17) (2024)
Pasquale Bufano, Niccolò Albertini, Simone Chiarelli, Vincenzo Barone, Marta Valleggi, Gianluca Parrini, Alessandro Tognetti, Valentina Cesari, Angelo Gemignani, Danilo Menicucci
Weakened Sustained Attention and Increased Cognitive Effort after Total Sleep Deprivation: A Virtual Reality Ecological Study. Int. J. Hum. Comput. Interact. 39 (18) (2023)
Silvia Di Grande, Mihaly Kállay, Vincenzo Barone
Accurate thermochemistry at affordable cost by means of an improved version of the JunChS-F12 model chemistry. J. Comput. Chem. 44 (27) (2023)
Zoi Salta, Mauricio Vega-Teijido, Aline Katz, Nicola Tasinato, Vincenzo Barone, Oscar N. Ventura
Dipolar 1, 3-cycloaddition of thioformaldehyde S-methylide (CH2SCH2) to ethylene and acetylene. A comparison with (valence) isoelectronic O3, SO2, CH2OO and CH2SO. J. Comput. Chem. 43 (21) (2022)
Vincenzo Barone, Anna Martin, Franco Bradamante
Transverse-Spin Quark Distributions from Asymmetry Data and Symmetry Arguments. Symmetry 13 (1) (2021)
Federico Lazzari, Andrea Salvadori, Giordano Mancini, Vincenzo Barone
Molecular Perception for Visualization and Computation: The Proxima Library. J. Chem. Inf. Model. 60 (6) (2020)
Marta Martino, Andrea Salvadori, Federico Lazzari, Lorenzo Paoloni, Surajit Nandi, Giordano Mancini, Vincenzo Barone, Sergio Rampino
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality. J. Comput. Chem. 41 (13) (2020)
Daniele Licari, Sergio Rampino, Vincenzo Barone
Machine Learning of Potential-Energy Surfaces Within a Bond-Order Sampling Scheme. ICCSA (6) (2019)
Surajit Nandi, Danilo Calderini, Julien Bloino, Sergio Rampino, Vincenzo Barone
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations. ICCSA (6) (2019)
Vincenzo Barone, Demetrio Carmine Festa, Domenico Walter Edvige Mongelli, Antonio Tassitani
Comfort Index CI(bus): A methodology to measure the comfort on board. FNC/MobiSPC (2018)
Andrea Salvadori, Marco Fusè, Giordano Mancini, Sergio Rampino, Vincenzo Barone
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality. J. Comput. Chem. 39 (31) (2018)
Sara Del Galdo, Giordano Mancini, Isabella Daidone, Laura Zanetti Polzi, Andrea Amadei, Vincenzo Barone
Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties. J. Comput. Chem. 39 (22) (2018)
Jerryman Appiahene Gyamfi, Vincenzo Barone
On the coupling of an arbitrary number of angular momenta: generalized analytic approaches to Clebsch-Gordan decomposition of SU(2) spin representations. CoRR (2017)
Shiladitya Banerjee, Dimitrios Skouteris, Vincenzo Barone
A Diabatic Electronic State System to Describe the Internal Conversion of Azulene. ICCSA (5) (2017)
Marco Pagliai, Giordano Mancini, Ivan Carnimeo, Nicola De Mitri, Vincenzo Barone
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach. J. Comput. Chem. 38 (6) (2017)
Daniele Licari, Alberto Baiardi, Malgorzata Biczysko, Franco Egidi, Camille Latouche, Vincenzo Barone
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool. J. Comput. Chem. 36 (5) (2015)
Ivan Carnimeo, Chiara Cappelli, Vincenzo Barone
Analytical gradients for MP2, double hybrid functionals, and TD-DFT with polarizable embedding described by fluctuating charges. J. Comput. Chem. 36 (31) (2015)
Andrea Salvadori, Andrea Brogni, Giordano Mancini, Vincenzo Barone
Moka: Designing a Simple Scene Graph Library for Cluster-Based Virtual Reality Systems. AVR (2014)
Mark J. Ablowitz, Vincenzo Barone, Silvana De Lillo, Matteo Sommacal
Traveling Waves in Elastic Rods with Arbitrary Curvature and Torsion. J. Nonlinear Sci. 22 (6) (2012)
Vincenzo Barone, Mirco Zerbetto, Antonino Polimeno
Hydrodynamic modeling of diffusion tensor properties of flexible molecules. J. Comput. Chem. 30 (1) (2009)
Fabio Trani, M. Causà, Stefano Lettieri, Antonio Setaro, Domenico Ninno, Vincenzo Barone, Pasqualino Maddalena
Role of surface oxygen vacancies in photoluminescence of tin dioxide nanobelts. Microelectron. J. 40 (2) (2009)
Mirco Zerbetto, Antonino Polimeno, Vincenzo Barone
Simulation of electron spin resonance spectroscopy in diverse environments: An integrated approach. Comput. Phys. Commun. 180 (12) (2009)
Vincenzo Barone, Maurizio Casarin, Daniel Forrer, Michele Pavone, Mauro Sambi, Andrea Vittadini
Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases. J. Comput. Chem. 30 (6) (2009)
Fabrizio Santoro, Vincenzo Barone, Roberto Improta
Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case. J. Comput. Chem. 29 (6) (2008)
Philippe Carbonniere, Tecla Lucca, Claude Pouchan, Nadia Rega, Vincenzo Barone
Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules. J. Comput. Chem. 26 (4) (2005)
Caterina Benzi, Maurizio Cossi, Roberto Improta, Vincenzo Barone
Building cavities in a fluid of spherical or rod-like particles: A contribution to the solvation free energy in isotropic and anisotropic polarizable continuum model. J. Comput. Chem. 26 (11) (2005)
Roberto Improta, Vincenzo Barone
Assessing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions. J. Comput. Chem. 25 (11) (2004)
Maurizio Cossi, Nadia Rega, Giovanni Scalmani, Vincenzo Barone
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model. J. Comput. Chem. 24 (6) (2003)
Emma Langella, Nadia Rega, Roberto Improta, Orlando Crescenzi, Vincenzo Barone
Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model. J. Comput. Chem. 23 (6) (2002)
Caterina Benzi, Roberto Improta, Giovanni Scalmani, Vincenzo Barone
Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution. J. Comput. Chem. 23 (3) (2002)
Roger Arnaud, Valentina Vetere, Vincenzo Barone
Quantum mechanical study of regioselectivity of radical additions to substituted olefins. J. Comput. Chem. 21 (8) (2000)
Carlo Adamo, Vincenzo Barone
Structures and properties of lanthanide and actinide complexes by a new density functional approach: Lanthanum, gadolinium, lutetium, and thorium halides as case studies. J. Comput. Chem. 21 (13) (2000)
Nadia Rega, Maurizio Cossi, Vincenzo Barone
Improving performance of polarizable continuum model for study of large molecules in solution. J. Comput. Chem. 20 (11) (1999)
Christian Silvio Pomelli, Jacopo Tomasi, Maurizio Cossi, Vincenzo Barone
Effective generation of molecular cavities in polarizable continuum model by DefPol procedure. J. Comput. Chem. 20 (16) (1999)
Vincenzo Barone, Maurizio Cossi, Jacopo Tomasi
Geometry optimization of molecular structures in solution by the polarizable continuum model. J. Comput. Chem. 19 (4) (1998)
Carlo Adamo, Vincenzo Barone
Implementation and validation of the Lacks-Gordon exchange functional in conventional density functional and adiabatic connection methods. J. Comput. Chem. 19 (4) (1998)
Vincenzo Barone, Carlo Adamo
Modulation of Intramolecular Proton Transfer by Electronic Excitation and Environment: 2-Pyridone as a Case Study. J. Comput. Chem. 15 (4) (1994)