Vincenzo Barone
Orcid: 0000-0001-6420-4107
According to our database1,
Vincenzo Barone
authored at least 36 papers
between 1994 and 2023.
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Bibliography
2023
Weakened Sustained Attention and Increased Cognitive Effort after Total Sleep Deprivation: A Virtual Reality Ecological Study.
Int. J. Hum. Comput. Interact., November, 2023
Accurate thermochemistry at affordable cost by means of an improved version of the JunChS-F12 model chemistry.
J. Comput. Chem., 2023
2022
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., 2022
2021
Symmetry, 2021
2020
J. Chem. Inf. Model., 2020
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality.
J. Comput. Chem., 2020
2019
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations.
Proceedings of the Computational Science and Its Applications - ICCSA 2019, 2019
Proceedings of the Computational Science and Its Applications - ICCSA 2019, 2019
2018
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality.
J. Comput. Chem., 2018
Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties.
J. Comput. Chem., 2018
Proceedings of the 15th International Conference on Mobile Systems and Pervasive Computing (MobiSPC 2018) / The 13th International Conference on Future Networks and Communications (FNC-2018) / Affiliated Workshops, 2018
2017
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach.
J. Comput. Chem., 2017
On the coupling of an arbitrary number of angular momenta: generalized analytic approaches to Clebsch-Gordan decomposition of SU(2) spin representations.
CoRR, 2017
Proceedings of the Computational Science and Its Applications - ICCSA 2017, 2017
2015
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool.
J. Comput. Chem., 2015
Analytical gradients for MP2, double hybrid functionals, and TD-DFT with polarizable embedding described by fluctuating charges.
J. Comput. Chem., 2015
2014
Moka: Designing a Simple Scene Graph Library for Cluster-Based Virtual Reality Systems.
Proceedings of the Augmented and Virtual Reality - First International Conference, 2014
2012
J. Nonlinear Sci., 2012
2009
Microelectron. J., 2009
J. Comput. Chem., 2009
Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases.
J. Comput. Chem., 2009
Simulation of electron spin resonance spectroscopy in diverse environments: An integrated approach.
Comput. Phys. Commun., 2009
2008
Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case.
J. Comput. Chem., 2008
2005
Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules.
J. Comput. Chem., 2005
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., 2005
2004
Assessing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions.
J. Comput. Chem., 2004
2003
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model.
J. Comput. Chem., 2003
2002
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., 2002
Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution.
J. Comput. Chem., 2002
2000
Quantum mechanical study of regioselectivity of radical additions to substituted olefins.
J. Comput. Chem., 2000
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., 2000
1999
Improving performance of polarizable continuum model for study of large molecules in solution.
J. Comput. Chem., 1999
Effective generation of molecular cavities in polarizable continuum model by DefPol procedure.
J. Comput. Chem., 1999
1998
Geometry optimization of molecular structures in solution by the polarizable continuum model.
J. Comput. Chem., 1998
Implementation and validation of the Lacks-Gordon exchange functional in conventional density functional and adiabatic connection methods.
J. Comput. Chem., 1998
1994
Modulation of Intramolecular Proton Transfer by Electronic Excitation and Environment: 2-Pyridone as a Case Study.
J. Comput. Chem., 1994