- About
- Selected Publications
Researcher, Institute of Chemistry of OrganoMetallic Compounds (ICCOM-CNR), Pisa
Post Doc, University of Naples “Federico II”
Ph.D., University of Naples “Federico II” (Italy)
Contributions to Gaussian: Vibrationally-resolved electronic spectroscopy; Anharmonic IR and Raman intensities
Research Interests
- Development and implementation of efficient models to compute vibrationally-resolved electronic spectra
- Development of accurate methods to simulate vibrational spectra beyond the harmonic approximation
- Implementation of reduced-dimensionality schemes to apply vibronic and anharmonic vibronic spectroscopy to large systems
- V. Barone, M. Biczysko, J. Bloino, “Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation”, Phys. Chem. Chem. Phys. 16 (2014) 1759–1787.
- A. Baiardi, J. Bloino, V. Barone, “General Time Dependent Approach to Vibronic Spectroscopy Including Franck–Condon, Herzberg–Teller, and Duschinsky Effects”, J. Chem. Theory Comput. 9 (2013) 4097–4115.
- C. Merten, J. Bloino, V. Barone, Y. Xu, “Anharmonicity Effects in the Vibrational CD Spectra of Propylene Oxide”, J. Phys. Chem. Lett. 4 (2013) 3424–3428.
- J. Bloino, V. Barone, “A second-order perturbation theory route to vibrational averages and transition properties of molecules: General formulation and application to infrared and vibrational circular dichroism spectroscopies”, J. Chem. Phys. 136 (2012) 124108.
- J. Bloino, M. Biczysko, V. Barone, “General Perturbative Approach for Spectroscopy, Thermodynamics, and Kinetics: Methodological Background and Benchmark Studies”, J. Chem. Theory Comput. 8 (2012) 1015–1036.
- V. Barone, M. Biczysko, J. Bloino, M. Borkowska-Panek, I. Carnimeo, P. Panek, “Toward anharmonic computations of vibrational spectra for large molecular systems”, Int. J. Quant. Chem. 112 (2012) 2185–2200.
- J. Bloino, M. Biczysko, F. Santoro, V. Barone, “General Approach to Compute Vibrationally Resolved One-Photon Electronic Spectra”, J. Chem. Theory Comput. 6 (2010) 1256–1274.
- V. Barone, J. Bloino, M. Biczysko, F. Santoro, “Fully integrated approach to compute vibrationally resolved optical spectra: from small molecules to macrosystems”, J. Chem. Theory Comput. 5 (2009) 540–554.
Last update: 10 August 2016
