C. Puzzarini; M. Biczysko; V. Barone; M. I. Pena; C. Cabezas; J. L. Alonso, Accurate molecular structure and spectroscopic properties for nucleobases: A combined computational - microwave investigation of 2-thiouracil as a case study, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2013, 15, pp. 16965 - 16975 [Scientific article]
V. Barone; M. Biczysko; J. Bloino; C. Puzzarini, Accurate structure, thermodynamic and spectroscopic parameters from CC and CC/DFT schemes: the challenge of the conformational equilibrium in glycine., «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2013, 15, pp. 10094 - 10111 [Scientific article]
V. Barone; M. Biczysko; J. Bloino; F. Egidi; C. Puzzarini, Accurate structure, thermodynamics and spectroscopy of medium-sized radicals by hybrid CC/DFT approaches: the case of phenyl radical, «THE JOURNAL OF CHEMICAL PHYSICS», 2013, 138, Article number: 234303 , pp. 234303/1 - 234303/14 [Scientific article]
A. Pietropolli Charmet; P. Stoppa; N. Tasinato; S. Giorgianni; V. Barone; M. Biczysko; J. Bloino; C. Cappelli; I. Carnimeo; C. Puzzarini, An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane, «THE JOURNAL OF CHEMICAL PHYSICS», 2013, 139, Article number: 164302 , pp. 164302/1 - 164302/15 [Scientific article]
I. Carnimeo; C. Puzzarini; N. Tasinato; P. Stoppa; A. Pietropolli Charmet; M. Biczysko; C. Cappelli; V. Barone, Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds, «THE JOURNAL OF CHEMICAL PHYSICS», 2013, 139, Article number: 074310 , pp. 074310/1 - 074310/16 [Scientific article]
Vincenzo Barone; Malgorzata Biczysko; Julien Bloino; Cristina Puzzarini, Characterization of the Elusive Conformers of Glycine from State-of-the-Art Structural, Thermodynamic, and Spectroscopic
Computations: Theory Complements Experiment, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2013, 9, pp. 1533 - 1547 [Scientific article]
A. Ali; E.C. Sittler; D. Chornay; B.R. Rowe; C. Puzzarini, Cyclopropenyl cation – the simplest Huckel's aromatic molecule – and its cyclic methyl derivatives in Titan's upper atmosphere, «PLANETARY AND SPACE SCIENCE», 2013, 87, pp. 96 - 105 [Scientific article]
Vincenzo Barone; Malgorzata Biczysko; Julien Bloino; Cristina Puzzarini, Glycine conformers: a never-ending story?, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2013, 15, pp. 1358 - 1363 [Scientific article]
C. Puzzarini; J. Gauss, Quantum-chemical determination of Born-Oppenheimer breakdown parameters for rotational constants: the open-shell species CN, CO+ and BO, «MOLECULAR PHYSICS», 2013, 111, pp. 2204 - 2210 [Scientific article]
Cristina Puzzarini, Rotational spectroscopy meets theory, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2013, 15, pp. 6595 - 6607 [Scientific article]
Coordination of a Research Project: Spettroscopia molecolare per la Ricerca Atmosferica e Astrochimica: Esperimento, Teoria ed Applicazioni (EN: Molecular Spectroscopy for Atmospherical and Astrochemical Research: Experiment, Theory and Applications).
Gabriele Cazzoli; Cristina Puzzarini, Sub-Doppler Resolution in the THz Frequency Domain: 1 kHz Accuracy at 1 THz by Exploiting the Lamb-Dip Technique, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2013, 117, pp. 13759 - 13766 [Scientific article]
S. Stopkowicz; L. Cheng; M. E. Harding; C. Puzzarini; J. Gauss, The bromine nuclear quadrupole moment revisited, «MOLECULAR PHYSICS», 2013, 111, pp. 1382 - 1389 [Scientific article]
Trygve Helgaker; Jürgen Gauss; Gabriele Cazzoli; Cristina Puzzarini, 33S hyperfine interactions in H2S and SO2 and revision of the sulfur nuclear magnetic shielding scale, «THE JOURNAL OF CHEMICAL PHYSICS», 2013, 139, pp. 244308-1 - 244308-9 [Scientific article]
C. Puzzarini, A theoretical study of the CX2N isomers (X=F,Cl,Br): the effect of X substitution on structure, isomerization and energetics, «THE JOURNAL OF CHEMICAL PHYSICS», 2012, 136, pp. 044316/1 - 044316/10 [Scientific article]
