Correct Modeling of Cisplatin: a Paradigmatic Case

по Tasinato, Nicola, Puzzarini, Cristina, Barone, Vincenzo
Опубликовано в: Angew Chem Int Ed Engl (2017)

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

по Penocchio, Emanuele, Mendolicchio, Marco, Tasinato, Nicola, Barone, Vincenzo
Опубликовано в: Can J Chem (2016)

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

по Barone, Vincenzo, Ceselin, Giorgia, Fusè, Marco, Tasinato, Nicola
Опубликовано в: Front Chem (2020)

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

по Licari, Daniele, Tasinato, Nicola, Spada, Lorenzo, Puzzarini, Cristina, Barone, Vincenzo
Опубликовано в: 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

по Baiano, Carmen, Lupi, Jacopo, Tasinato, Nicola, Puzzarini, Cristina, Barone, Vincenzo
Опубликовано в: 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

по Spada, Lorenzo, Tasinato, Nicola, Bosi, Giulio, Vazart, Fanny, Barone, Vincenzo, Puzzarini, Cristina
Опубликовано в: J Mol Spectrosc (2017)

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

по Salta, Zoi, Segovia, Marc E., Katz, Aline, Tasinato, Nicola, Barone, Vincenzo, Ventura, Oscar N.
Опубликовано в: J Org Chem (2021)

Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds

по Carnimeo, Ivan, Puzzarini, Cristina, Tasinato, Nicola, Stoppa, Paolo, Charmet, Andrea Pietropolli, Biczysko, Malgorzata, Cappelli, Chiara, Barone, Vincenzo
Опубликовано в: 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

по Salta, Zoi, Kosmas, Agnie M., Segovia, Marc E., Kieninger, Martina, Tasinato, Nicola, Barone, Vincenzo, Ventura, Oscar N.
Опубликовано в: J Phys Chem A (2020)

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

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