Correct Modeling of Cisplatin: a Paradigmatic Case

od Tasinato, Nicola, Puzzarini, Cristina, Barone, Vincenzo
Izdano u Angew Chem Int Ed Engl (2017)

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

od Penocchio, Emanuele, Mendolicchio, Marco, Tasinato, Nicola, Barone, Vincenzo
Izdano u Can J Chem (2016)

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

od Barone, Vincenzo, Ceselin, Giorgia, Fusè, Marco, Tasinato, Nicola
Izdano u Front Chem (2020)

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

od Licari, Daniele, Tasinato, Nicola, Spada, Lorenzo, Puzzarini, Cristina, Barone, Vincenzo
Izdano u 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

od Baiano, Carmen, Lupi, Jacopo, Tasinato, Nicola, Puzzarini, Cristina, Barone, Vincenzo
Izdano u 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

od Spada, Lorenzo, Tasinato, Nicola, Bosi, Giulio, Vazart, Fanny, Barone, Vincenzo, Puzzarini, Cristina
Izdano u J Mol Spectrosc (2017)

Isomerization and Fragmentation Reactions on the [C(2)SH(4)] Potential Energy Surface: The Metastable Thione S-Methylide Isomer

od Salta, Zoi, Segovia, Marc E., Katz, Aline, Tasinato, Nicola, Barone, Vincenzo, Ventura, Oscar N.
Izdano u J Org Chem (2021)

Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds

od Carnimeo, Ivan, Puzzarini, Cristina, Tasinato, Nicola, Stoppa, Paolo, Charmet, Andrea Pietropolli, Biczysko, Malgorzata, Cappelli, Chiara, Barone, Vincenzo
Izdano u J Chem Phys (2013)

Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The “Hidden” Routes to Cresols and Benzaldehyde

od Salta, Zoi, Kosmas, Agnie M., Segovia, Marc E., Kieninger, Martina, Tasinato, Nicola, Barone, Vincenzo, Ventura, Oscar N.
Izdano u J Phys Chem A (2020)

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

od Charmet, Andrea Pietropolli, Stoppa, Paolo, Tasinato, Nicola, Giorgianni, Santi, Barone, Vincenzo, Biczysko, Malgorzata, Bloino, Julien, Cappelli, Chiara, Carnimeo, Ivan, Puzzarini, Cristina
Izdano u J Chem Phys (2013)