Correct Modeling of Cisplatin: a Paradigmatic Case

ανά Tasinato, Nicola, Puzzarini, Cristina, Barone, Vincenzo
Τόπος έκδοσης Angew Chem Int Ed Engl (2017)

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

ανά Penocchio, Emanuele, Mendolicchio, Marco, Tasinato, Nicola, Barone, Vincenzo
Τόπος έκδοσης Can J Chem (2016)

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

ανά Barone, Vincenzo, Ceselin, Giorgia, Fusè, Marco, Tasinato, Nicola
Τόπος έκδοσης Front Chem (2020)

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

ανά Licari, Daniele, Tasinato, Nicola, Spada, Lorenzo, Puzzarini, Cristina, Barone, Vincenzo
Τόπος έκδοσης 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

ανά Baiano, Carmen, Lupi, Jacopo, Tasinato, Nicola, Puzzarini, Cristina, Barone, Vincenzo
Τόπος έκδοσης 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

ανά Spada, Lorenzo, Tasinato, Nicola, Bosi, Giulio, Vazart, Fanny, Barone, Vincenzo, Puzzarini, Cristina
Τόπος έκδοσης J Mol Spectrosc (2017)

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

ανά Salta, Zoi, Segovia, Marc E., Katz, Aline, Tasinato, Nicola, Barone, Vincenzo, Ventura, Oscar N.
Τόπος έκδοσης J Org Chem (2021)

Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds

ανά Carnimeo, Ivan, Puzzarini, Cristina, Tasinato, Nicola, Stoppa, Paolo, Charmet, Andrea Pietropolli, Biczysko, Malgorzata, Cappelli, Chiara, Barone, Vincenzo
Τόπος έκδοσης 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

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

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

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