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Publications by Vincenzo Barone

Diving for Accurate Structures in the Ocean of Molecular Systems With the Help of Spectroscopy and Quantum Chemistry

Accounts of Chemical Research

Medicine

Chemistry

2018

English

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

Angewandte Chemie - International Edition

Catalysis

Chemistry

2018

English

Rotational and Infrared Spectroscopy of Ethanimine: A Route Toward Its Astrophysical and Planetary Detection

Astrophysical Journal

English

Combining the Fluctuating Charge Method, Non-Periodic Boundary Conditions and Meta-Dynamics: Aqua Ions as Case Studies

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

Physical

2014

English

CC/DFT Route Toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

Physical

2015

English

Dispersion Corrected DFT Approaches for Anharmonic Vibrational Frequency Calculations: Nucleobases and Their Dimers

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Environmental and Complexation Effects on the Structures and Spectroscopic Signatures of Organic Pigments Relevant to Cultural Heritage: The Case of Alizarin and Alizarin–Mg(ii)/Al(iii) Complexes

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Anharmonic Theoretical Simulations of Infrared Spectra of Halogenated Organic Compounds

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Accurate Yet Feasible Computations of Resonance Raman Spectra for Metal Complexes in Solution: [Ru(bpy)3]2+ as a Case Study

Dalton Transactions

Inorganic Chemistry

2014

English

New Developments of a Multifrequency Virtual Spectrometer: Stereo-Electronic, Dynamical, and Environmental Effects on Chiroptical Spectra

English

Amanote Research

Discover open access scientific publications

Search, annotate, share and cite publications

Publications by Vincenzo Barone

Diving for Accurate Structures in the Ocean of Molecular Systems With the Help of Spectroscopy and Quantum Chemistry

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

Rotational and Infrared Spectroscopy of Ethanimine: A Route Toward Its Astrophysical and Planetary Detection

Combining the Fluctuating Charge Method, Non-Periodic Boundary Conditions and Meta-Dynamics: Aqua Ions as Case Studies

CC/DFT Route Toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study

Dispersion Corrected DFT Approaches for Anharmonic Vibrational Frequency Calculations: Nucleobases and Their Dimers

Environmental and Complexation Effects on the Structures and Spectroscopic Signatures of Organic Pigments Relevant to Cultural Heritage: The Case of Alizarin and Alizarin–Mg(ii)/Al(iii) Complexes

Anharmonic Theoretical Simulations of Infrared Spectra of Halogenated Organic Compounds

Accurate Yet Feasible Computations of Resonance Raman Spectra for Metal Complexes in Solution: [Ru(bpy)3]2+ as a Case Study

New Developments of a Multifrequency Virtual Spectrometer: Stereo-Electronic, Dynamical, and Environmental Effects on Chiroptical Spectra