Correct Modeling of Cisplatin: a Paradigmatic Case

Por Tasinato, Nicola, Puzzarini, Cristina, Barone, Vincenzo
Publicado no Angew Chem Int Ed Engl (2017)

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

Por Penocchio, Emanuele, Mendolicchio, Marco, Tasinato, Nicola, Barone, Vincenzo
Publicado no Can J Chem (2016)

Accuracy Meets Interpretability for Computational Spectroscopy by Means of Hybrid and Double-Hybrid Functionals

Por Barone, Vincenzo, Ceselin, Giorgia, Fusè, Marco, Tasinato, Nicola
Publicado no Front Chem (2020)

VMS-ROT: A New Module of the Virtual Multifrequency Spectrometer for Simulation, Interpretation, and Fitting of Rotational Spectra

Por Licari, Daniele, Tasinato, Nicola, Spada, Lorenzo, Puzzarini, Cristina, Barone, Vincenzo
Publicado no J Chem Theory Comput (2017)

The Role of State-of-the-Art Quantum-Chemical Calculations in Astrochemistry: Formation Route and Spectroscopy of Ethanimine as a Paradigmatic Case

Por Baiano, Carmen, Lupi, Jacopo, Tasinato, Nicola, Puzzarini, Cristina, Barone, Vincenzo
Publicado no Molecules (2020)

On the competition between weak O-H···F and C-H···F hydrogen bonds, in cooperation with C-H···O contacts, in the difluoromethane – tert-butyl alcohol cluster

Por Spada, Lorenzo, Tasinato, Nicola, Bosi, Giulio, Vazart, Fanny, Barone, Vincenzo, Puzzarini, Cristina
Publicado no J Mol Spectrosc (2017)

Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds

Por Carnimeo, Ivan, Puzzarini, Cristina, Tasinato, Nicola, Stoppa, Paolo, Charmet, Andrea Pietropolli, Biczysko, Malgorzata, Cappelli, Chiara, Barone, Vincenzo
Publicado no J Chem Phys (2013)

An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane

Por Charmet, Andrea Pietropolli, Stoppa, Paolo, Tasinato, Nicola, Giorgianni, Santi, Barone, Vincenzo, Biczysko, Malgorzata, Bloino, Julien, Cappelli, Chiara, Carnimeo, Ivan, Puzzarini, Cristina
Publicado no J Chem Phys (2013)