- About
- Selected Publications
Post Doc, Scuola Normale Superiore di Pisa (Italy)
Ph.D., Scuola Normale Superiore di Pisa
Research Interests
Development of multiscale approaches for computational spectroscopy
- V. Barone, I. Carnimeo and G. Scalmani, “Computational Spectroscopy of Large Systems in Solution: The DFTB/PCM and TD-DFTB/PCM Approach”, J. Chem. Theory Comput.s 9 (2013) 2052.
- I. Carnimeo, C. Puzzarini, N. Tasinato, P. Stoppa, A. Pietropolli Charmet, M. Biczysko, C. Cappelli and V. Barone, “Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds”, J. Chem. Phys. 139 (2013) 074310.
- F. Trani, G. Scalmani, G. Zheng, I. Carnimeo, M. J. Frisch and V. Barone, “Time-Dependent Density Functional Tight Binding: New Formulation and Benchmark of Excited States”, J. Chem. Theory Comput. 7 (2011) 3304.
- I. Carnimeo, M. Biczysko, J. Bloino and V. Barone, “Reliable structural, thermodynamics and spectroscopic properties of organic molecules adsorbed on silicon surfaces from computational modelling: the case of glycine@Si(100)”, Phys. Chem. Chem. Phys. 13 (2011) 16713.
Last update: 10 August 2016
