Vincenzo Barone - Selected Publications#
C. Puzzarini, J. Bloino, N. Tasinato and V. Barone, Accuracy and Interpretability: The Devil and the Holy Grail. New Routes Across Old Boundaries in Computational Spectroscopy, Chem. Rev. 119, 8131-8191 (2019). [6 citations]
W. Li, L. Spada, N. Tasinato, S. Rampino, L. Evangelisti, A. Gualandi, P. G. Cozzi, S. Melandri, V. Barone, C. Puzzarini, Theory Meets Experiment for Non-Covalent Complexes: the Puzzling Case of Pnicogen Interactions, Angew. Chem. Int. Ed. 57, 13853-13857 (2018) [15 citations]
V. Barone, J. Bloino, M. Biczysko, F. Santoro, Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macro Systems, J. Chem. Theory Comput. 5, 540-554 (2009). [264 citations]
V. Barone, Anharmonic Vibrational Properties by a Fully Automated Second-Order Perturbative Approach, J. Chem. Phys. 122, 014108 (2005). [1038 citations]
M. Cossi, N. Rega, G. Scalmani, V. Barone, Energies, Structures, and Electronic Properties of Molecules in Solution by the C-PCM Solvation Model, J. Comp. Chem. 24, 669-681 (2003). [4736 citations]
M. Cossi, G. Scalmani, N. Rega, V. Barone, New Developments in the Polarisable Continuum Model for Quantum Mechanical and Classical Calculations on Molecules in Solution, J. Chem. Phys. 117, 43-54 (2002). [1923 citations]
M. Cossi,V. Barone, Time-dependent Density Functional Theory for Molecules in Liquid Solution, J. Chem. Phys. 115, 4708-4717 (2001). [1493 citations]
C. Adamo,V. Barone, Toward Reliable Density Functionals Without Adjustable Parameters: the PBE0 Model, J. Chem. Phys. 110, 6158-6170 (1999). [8279 citations]
V. Barone, M. Cossi, Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model, J. Phys. Chem. A 102, 1995- 2001 (1998). [5586 citations]
C. Adamo, V. Barone, Exchange Functionals with Improved Long-range behaviour and Adiabatic Connection Methods without Adjustable Parameters: the mPW and mPW1PW Models, J. Chem. Phys. 108, 664-675 (1998). [2364 citations]
