Works by Barone, Vincenzo

Results: 165

Interplay between 'Neutral' and 'Charge-Transfer' Excimers Rules the Excited State Decay in Adenine-Rich Polynucleotides.

Published in:

Angewandte Chemie, 2011, v. 123, n. 50, p. 12222, doi. 10.1002/ange.201104382

By:

Improta, Roberto;
Barone, Vincenzo

Publication type:

Article

Ab Initio Calculations of Absorption Spectra of Large Molecules in Solution: Coumarin C153We wish to thank Dr. A. Lami (IPCF-CNR, Pisa) for stimulating discussions on solvation dynamics and Dr. G. Morelli (Dip. Chimica, Napoli) for technical assistance.

Published in:

Angewandte Chemie, 2007, v. 119, n. 3, p. 409, doi. 10.1002/ange.200602907

By:

Roberto Improta;
Vincenzo Barone;
Fabrizio Santoro

Publication type:

Article

Two Years of PhysChem : Current Status and Future Developments.

Published in:

Physchem, 2024, v. 4, n. 1, p. 1, doi. 10.3390/physchem4010001

By:

Manzhos, Sergei;
Sa, Jacinto;
Barone, Vincenzo

Publication type:

Article

Welcome to Physchem: Status and Prospects.

Published in:

Physchem, 2022, v. 2, n. 1, p. 16, doi. 10.3390/physchem2010002

By:

Sá, Jacinto;
Sergei Manzhos;
Barone, Vincenzo

Publication type:

Article

Unhappy 20/20: A New Challenge for Cataract Surgery.

Published in:

Journal of Clinical Medicine, 2025, v. 14, n. 5, p. 1408, doi. 10.3390/jcm14051408

By:

De Gregorio, Chiara;
Nunziata, Sebastiano;
Spelta, Sara;
Lauretti, Paolo;
Barone, Vincenzo;
Surico, Pier Luigi;
Mori, Tommaso;
Coassin, Marco;
Di Zazzo, Antonio

Publication type:

Article

PROTEUS: an immersive tool for exploring the world of cultural heritage across space and time scales.

Published in:

Heritage Science, 2022, v. 10, n. 1, p. 1, doi. 10.1186/s40494-022-00708-3

By:

Albertini, Niccolò;
Baldini, Jacopo;
Dal Pino, Andrea;
Lazzari, Federico;
Legnaioli, Stefano;
Barone, Vincenzo

Publication type:

Article

Trichocyanines: a Red-Hair-Inspired Modular Platform for Dye-Based One-Time-Pad Molecular Cryptography.

Published in:

ChemistryOpen, 2015, v. 4, n. 3, p. 370, doi. 10.1002/open.201402164

By:

Leone, Loredana;
Pezzella, Alessandro;
Crescenzi, Orlando;
Napolitano, Alessandra;
Barone, Vincenzo;
d'Ischia, Marco

Publication type:

Article

Structural features of the carbon-sulfur chemical bond: a semi-experimental perspective.

Published in:

Canadian Journal of Chemistry, 2016, v. 94, n. 12, p. 1065, doi. 10.1139/cjc-2016-0282

By:

Penocchio, Emanuele;
Mendolicchio, Marco;
Tasinato, Nicola;
Barone, Vincenzo

Publication type:

Article

Gestapelt, nicht geklebt: Enthüllung der π→π*‐Wechselwirkung mithilfe des Benzofuran‐Formaldehyd‐Komplexes.

Published in:

Angewandte Chemie, 2022, v. 134, n. 1, p. 1, doi. 10.1002/ange.202113737

By:

Li, Xiaolong;
Spada, Lorenzo;
Alessandrini, Silvia;
Zheng, Yang;
Lengsfeld, Kevin Gregor;
Grabow, Jens‐Uwe;
Feng, Gang;
Puzzarini, Cristina;
Barone, Vincenzo

Publication type:

Article

Discovering the Elusive Global Minimum in a Ternary Chiral Cluster: Rotational Spectra of Propylene Oxide Trimer.

Published in:

Angewandte Chemie, 2020, v. 132, n. 50, p. 22613, doi. 10.1002/ange.202010055

By:

Xie, Fan;
Fusè, Marco;
Hazrah, Arsh S.;
Jäger, Wolfgang;
Barone, Vincenzo;
Xu, Yunjie

Publication type:

Article

The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy.

Published in:

Angewandte Chemie, 2019, v. 131, n. 39, p. 14073, doi. 10.1002/ange.201906977

By:

Wang, Juan;
Spada, Lorenzo;
Chen, Junhua;
Gao, Shuang;
Alessandrini, Silvia;
Feng, Gang;
Puzzarini, Cristina;
Gou, Qian;
Grabow, Jens‐Uwe;
Barone, Vincenzo

Publication type:

Article

Unveiling the Sulfur–Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond.

Published in:

Angewandte Chemie, 2018, v. 130, n. 48, p. 16048, doi. 10.1002/ange.201810637

By:

Obenchain, Daniel A.;
Spada, Lorenzo;
Alessandrini, Silvia;
Rampino, Sergio;
Herbers, Sven;
Tasinato, Nicola;
Mendolicchio, Marco;
Kraus, Peter;
Gauss, Jürgen;
Puzzarini, Cristina;
Grabow, Jens‐Uwe;
Barone, Vincenzo

Publication type:

Article

Theory Meets Experiment for Noncovalent Complexes: The Puzzling Case of Pnicogen Interactions.

Published in:

Angewandte Chemie, 2018, v. 130, n. 42, p. 14049, doi. 10.1002/ange.201807751

By:

Li, Weixing;
Spada, Lorenzo;
Tasinato, Nicola;
Rampino, Sergio;
Evangelisti, Luca;
Gualandi, Andrea;
Cozzi, Pier Giorgio;
Melandri, Sonia;
Barone, Vincenzo;
Puzzarini, Cristina

Publication type:

Article

The Role of Immune Cells and Signaling Pathways in Diabetic Eye Disease: A Comprehensive Review.

Published in:

Biomedicines, 2024, v. 12, n. 10, p. 2346, doi. 10.3390/biomedicines12102346

By:

Barone, Vincenzo;
Surico, Pier Luigi;
Cutrupi, Francesco;
Mori, Tommaso;
Gallo Afflitto, Gabriele;
Di Zazzo, Antonio;
Coassin, Marco

Publication type:

Article

From Perception to Prediction and Interpretation: Enlightening the Gray Zone of Molecular Bricks of Life With the Help of Machine Learning and Quantum Chemistry.

Published in:

WIREs: Computational Molecular Science, 2025, v. 15, n. 1, p. 1, doi. 10.1002/wcms.70000

By:

Barone, Vincenzo

Publication type:

Article

The virtual multifrequency spectrometer: a new paradigm for spectroscopy.

Published in:

WIREs: Computational Molecular Science, 2016, v. 6, n. 2, p. 86, doi. 10.1002/wcms.1238

By:

Barone, Vincenzo

Publication type:

Article

Computation of the acetone ultraviolet spectrum in gas phase and in aqueous solution by a mixed discrete/continuum model.

Published in:

Molecular Physics, 2003, v. 101, n. 13, p. 1945, doi. 10.1080/0026897031000109284

By:

Aquilante, Francesco;
Cossi, Maurizio;
Crescenzi, Orlando;
Scalmani, Giovanni;
Barone, Vincenzo

Publication type:

Article

Transverse–Spin Quark Distributions from Asymmetry Data and Symmetry Arguments.

Published in:

Symmetry (20738994), 2021, v. 13, n. 1, p. 116, doi. 10.3390/sym13010116

By:

Barone, Vincenzo;
Martin, Anna;
Bradamante, Franco

Publication type:

Article

Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pK a calculations and molecular dynamics simulations.

Published in:

Proteins, 2006, v. 64, n. 1, p. 167, doi. 10.1002/prot.20979

By:

Langella, Emma;
Improta, Roberto;
Crescenzi, Orlando;
Barone, Vincenzo

Publication type:

Article

A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants.

Published in:

Proteins, 2006, v. 62, n. 1, p. 262, doi. 10.1002/prot.20772

By:

Barone, Vincenzo;
De Rienzo, Francesca;
Langella, Emma;
Menziani, M. Cristina;
Rega, Nadia;
Sola, Marco

Publication type:

Article

Efficient Excited-State Symmetry Breaking in a Cationic Quadrupolar System Bearing Diphenylamino Donors.

Published in:

ChemPhysChem, 2016, v. 17, n. 1, p. 136, doi. 10.1002/cphc.201500784

By:

Carlotti, Benedetta;
Benassi, Enrico;
Fortuna, Cosimo G.;
Barone, Vincenzo;
Spalletti, Anna;
Elisei, Fausto

Publication type:

Article

Effect of the π Bridge and Acceptor on Intramolecular Charge Transfer in Push-Pull Cationic Chromophores: An Ultrafast Spectroscopic and TD-DFT Computational Study.

Published in:

ChemPhysChem, 2015, v. 16, n. 7, p. 1440, doi. 10.1002/cphc.201402896

By:

Carlotti, Benedetta;
Benassi, Enrico;
Barone, Vincenzo;
Consiglio, Giuseppe;
Elisei, Fausto;
Mazzoli, Alessandra;
Spalletti, Anna

Publication type:

Article

A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a.

Published in:

ChemPhysChem, 2014, v. 15, n. 15, p. 3355, doi. 10.1002/cphc.201402300

By:

Barone, Vincenzo;
Biczysko, Malgorzata;
Borkowska‐Panek, Monika;
Bloino, Julien

Publication type:

Article

The Interplay between ππ/nπ Excited States in Gas-Phase Thymine: A Quantum Dynamical Study.

Published in:

ChemPhysChem, 2011, v. 12, n. 10, p. 1957, doi. 10.1002/cphc.201001080

By:

Picconi, David;
Barone, Vincenzo;
Lami, Alessandro;
Santoro, Fabrizio;
Improta, Roberto

Publication type:

Article

The Proton Affinity and Gas-Phase Basicity of Sulfur Dioxide.

Published in:

ChemPhysChem, 2011, v. 12, n. 1, p. 112, doi. 10.1002/cphc.201000920

By:

de Petris, Giulia;
Cartoni, Antonella;
Rosi, Marzio;
Barone, Vincenzo;
Puzzarini, Cristina;
Troiani, Anna

Publication type:

Article

Inside Cover: The Proton Affinity and Gas-Phase Basicity of Sulfur Dioxide (ChemPhysChem 1/2011).

Published in:

ChemPhysChem, 2011, v. 12, n. 1, p. 2, doi. 10.1002/cphc.201190003

By:

de Petris, Giulia;
Cartoni, Antonella;
Rosi, Marzio;
Barone, Vincenzo;
Puzzarini, Cristina;
Troiani, Anna

Publication type:

Article

Environmental Effects in Computational Spectroscopy: Accuracy and Interpretation.

Published in:

ChemPhysChem, 2010, v. 11, n. 9, p. 1812, doi. 10.1002/cphc.200900976

By:

Pedone, Alfonso;
Biczysko, Malgorzata;
Barone, Vincenzo

Publication type:

Article

Absorption Spectrum of A-T DNA Unraveled by Quantum Mechanical Calculations in Solution on the (dA)2⋅(dT)2 Tetramer.

Published in:

ChemPhysChem, 2008, v. 9, n. 17, p. 2531, doi. 10.1002/cphc.200800617

By:

Santoro, Fabrizio;
Barone, Vincenzo;
Improta, Roberto

Publication type:

Article

A Parameter-Free Quantum-Mechanical Approach for Calculating Electron-Transfer Rates for Large Systems in Solution.

Published in:

ChemPhysChem, 2006, v. 7, n. 6, p. 1211, doi. 10.1002/cphc.200600069

By:

Roberto Improta;
Vincenzo Barone;
Marshall D. Newton

Publication type:

Article

Spectroscopic Properties in the Liquid Phase: Combining High-Level Ab Initio Calculations and Classical Molecular Dynamics.

Published in:

ChemPhysChem, 2006, v. 7, n. 1, p. 148, doi. 10.1002/cphc.200500357

By:

Michele Pavone;
Giuseppe Brancato;
Giovanni Morelli;
Vincenzo Barone

Publication type:

Article

L-DOPA and Droxidopa: From Force Field Development to Molecular Docking into Human β 2 -Adrenergic Receptor.

Published in:

Life (2075-1729), 2022, v. 12, n. 9, p. 1393, doi. 10.3390/life12091393

By:

Catte, Andrea;
Biswas, Akash Deep;
Mancini, Giordano;
Barone, Vincenzo

Publication type:

Article

Impact of Scleral Lenses on Visual Acuity and Ocular Aberrations in Corneal Ectasia: A Comprehensive Review.

Published in:

Journal of Personalized Medicine, 2024, v. 14, n. 10, p. 1051, doi. 10.3390/jpm14101051

By:

Barone, Vincenzo;
Petrini, Daniele;
Nunziata, Sebastiano;
Surico, Pier Luigi;
Scarani, Claudia;
Offi, Francesco;
Villani, Valentina;
Coassin, Marco;
Di Zazzo, Antonio

Publication type:

Article

Who Will Pay for Robotic Rehabilitation? The Growing Need for a Cost-effectiveness Analysis.

Published in:

Innovations in Clinical Neuroscience, 2020, v. 17, n. 10-12, p. 14

By:

SALVATORE CALABRÒ, ROCCO;
MÜLLER-EISING, CLAUDIA;
DILIBERTI, MARIA LETIZIA;
MANULI, ALFREDO;
PARRINELLO, FRANCESCA;
RAO, GIUSEPPE;
BARONE, VINCENZO;
CIVELLO, TAMARA

Publication type:

Article

Sextic centrifugal distortion constants: interplay of density functional and basis set for accurate yet feasible computations.

Published in:

Molecular Physics, 2020, v. 118, n. 11, p. 1, doi. 10.1080/00268976.2020.1734678

By:

Boussessi, Rahma;
Tasinato, Nicola;
Pietropolli Charmet, Andrea;
Stoppa, Paolo;
Barone, Vincenzo

Publication type:

Article

Sextic centrifugal distortion constants: interplay of density functional and basis set for accurate yet feasible computations.

Published in:

Molecular Physics, 2020, v. 118, n. 11, p. 1, doi. 10.1080/00268976.2020.1734678

By:

Boussessi, Rahma;
Tasinato, Nicola;
Pietropolli Charmet, Andrea;
Stoppa, Paolo;
Barone, Vincenzo

Publication type:

Article

Computational tools for the interpretation of electron spin resonance spectra in solution.

Published in:

Molecular Physics, 2013, v. 111, n. 18/19, p. 2746, doi. 10.1080/00268976.2013.800602

By:

Zerbetto, Mirco;
Licari, Daniele;
Barone, Vincenzo;
Polimeno, Antonino

Publication type:

Article

Effective time-independent studies on resonance Raman spectroscopy of trans-stilbene including the Duschinsky effect.

Published in:

Molecular Physics, 2013, v. 111, n. 9-11, p. 1511, doi. 10.1080/00268976.2013.809490

By:

Lin, Na;
Barone, Vincenzo;
Cappelli, Chiara;
Zhao, Xian;
Ruud, Kenneth;
Santoro, Fabrizio

Publication type:

Article

Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach.

Published in:

Molecular Physics, 2013, v. 111, n. 9-11, p. 1345, doi. 10.1080/00268976.2013.796413

By:

Egidi, Franco;
Bloino, Julien;
Cappelli, Chiara;
Barone, Vincenzo;
Tomasi, Jacopo

Publication type:

Article

Discussed and greatly debated: the process of globalization in economics, science, culture.

Published in:

Conservation Science in Cultural Heritage / Quaderni di Scienza della Conservazione, 2017, v. 17, p. 15

By:

Lorusso, Salvatore;
Barone, Vincenzo

Publication type:

Article

ART, SCIENCE AND HISTORY IN A GLOBALIZED WORLD: THE CASE OF ITALY-CHINA.

Published in:

Conservation Science in Cultural Heritage / Quaderni di Scienza della Conservazione, 2015, v. 15, p. 329

By:

Lorusso, Salvator;
Mantovani, Mauro;
Gangfeng Zhang;
Barone, Vincenzo

Publication type:

Article

THE EVALUATION OF SCIENTIFIC RESEARCH ON THE BASIS OF ESTIMATION PARAMETERS IN ECONOMICS.

Published in:

Conservation Science in Cultural Heritage / Quaderni di Scienza della Conservazione, 2014, v. 14, p. 387

By:

Lorusso, Salvatore;
Barone, Vincenzo;
Natali, Andrea

Publication type:

Article

ANALYTICAL-DIAGNOSTIC AND COMPUTING TECHNOLOGIES FOR THE ATTRIBUTION, AUTHENTICATION AND ECONOMIC EVALUATION OF ART WORKS.

Published in:

Conservation Science in Cultural Heritage / Quaderni di Scienza della Conservazione, 2014, v. 14, p. 169

By:

Lorusso, Salvatore;
Barone, Vincenzo;
Colizzi, Lucio;
Fonseca, Cosimo Damiano

Publication type:

Article

EDITORIAL.

Published in:

2012

By:

Lorusso, Salvatore;
Barone, Vincenzo

Publication type:

Editorial

RICH: RESEARCH AND INNOVATION FOR CULTURAL HERITAGE.

Published in:

Conservation Science in Cultural Heritage / Quaderni di Scienza della Conservazione, 2012, v. 12, p. 109

By:

Barone, Vincenzo;
Licari, Daniele;
Nardini, Franco Maria

Publication type:

Article

EDITORIAL.

Published in:

Conservation Science in Cultural Heritage / Quaderni di Scienza della Conservazione, 2011, v. 11, p. 15

By:

Lorusso, Salvatore;
Barone, Vincenzo

Publication type:

Article

Definition of an On-Board Comfort Index (Rail) for the Railway Transport.

Published in:

Journal of Advanced Transportation, 2017, p. 1, doi. 10.1155/2017/7590389

By:

Barone, Vincenzo;
Mongelli, Domenico Walter Edvige;
Tassitani, Antonio

Publication type:

Article

Interplay between 'Neutral' and 'Charge-Transfer' Excimers Rules the Excited State Decay in Adenine-Rich Polynucleotides.

Published in:

Angewandte Chemie International Edition, 2011, v. 50, n. 50, p. 12016, doi. 10.1002/anie.201104382

By:

Improta, Roberto;
Barone, Vincenzo

Publication type:

Article

Improving performance of polarizable continuum model for study of large molecules in solution.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 11, p. 1186, doi. 10.1002/(SICI)1096-987X(199908)20:11<1186::AID-JCC9>3.0.CO;2-#

By:

Rega, Nadia;
Cossi, Maurizio;
Barone, Vincenzo

Publication type:

Article

Implementation and validation of the Lacks-Gordon exchange functional in conventional density functional and adiabatic connection methods.

Published in:

Journal of Computational Chemistry, 1998, v. 19, n. 4, p. 418, doi. 10.1002/(SICI)1096-987X(199803)19:4<418::AID-JCC4>3.0.CO;2-V

By:

Adamo, Carlo;
Barone, Vincenzo

Publication type:

Article

Geometry optimization of molecular structures in solution by the polarizable continuum model.

Published in:

Journal of Computational Chemistry, 1998, v. 19, n. 4, p. 404, doi. 10.1002/(SICI)1096-987X(199803)19:4<404::AID-JCC3>3.0.CO;2-W

By:

Barone, Vincenzo;
Cossi, Maurizio;
Tomasi, Jacopo

Publication type:

Article