Pubblicazioni del ROT&Comp Lab
C. Puzzarini; V. Barone, A theoretical study of the X2NO systems (X=F,Cl,Br,I): effects of halogen substitution on structural and spectroscopic properties, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2009, 5, pp. 2378 - 2387 [Articolo in rivista]
P. Cacciani; J. Cosléou; M. Khelkhal; M. Tutorie; C. Puzzarini; P. Pracna, Nuclear spin conversion in NH3, «PHYSICAL REVIEW A», 2009, 80, pp. 042507/1 - 042507/10 [Articolo in rivista]
C. Puzzarini; V. Barone, On the stability of X2NO radicals (X=F,Cl,Br,I), «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2009, 11, pp. 11463 - 11470 [Articolo in rivista]
C. Puzzarini; G. Cazzoli; M. E. Harding; J. Vázquez; J. Gauss, A new experimental absolute nuclear magnetic shielding scale for oxygen based on the rotational hyperfine structure of H2(17)O, «THE JOURNAL OF CHEMICAL PHYSICS», 2009, 131, pp. 234304/1 - 234304/11 [Articolo in rivista]
C. Puzzarini, Extrapolation to the complete basis set limit of structural parameters: comparison of different approaches, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2009, 113, pp. 14530 - 14535 [Articolo in rivista]
C. Puzzarini, Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy: Application to astrophysics and atmospherical systems, in: Advanced workshop on Theoretical and Computational Methods for Molecular Spectroscopy and Collisions: Application to Astrophysical and Atmospherical relevant Systems, s.l, s.n, 2009, pp. 17 - 18 (atti di: Advanced workshop on Theoretical and Computational Methods for Molecular Spectroscopy and Collisions: Application to Astrophysical and Atmospherical relevant Systems, Granada (Spain), 7-10 Maggio 2009) [Contributo in Atti di convegno]
C. Puzzarini; G. Cazzoli; J. Gauss, Silyl fluoride: Lamb-dip spectra and equilibrium structure, in: 64th OSU International Symposium on Molecular Spectroscopy. June 22-26, 2009., s.l, s.n, 2009, pp. 277 - 277 (atti di: 64th OSU International Symposium on Molecular Spectroscopy, Columbus, OH. USA, 22-26 giugno 2009) [Contributo in Atti di convegno]
C. Puzzarini; G. Cazzoli; M. E. Harding; J. Gauss, Absolute 17O NMR scale: a joint rotational spectroscopy and quantum chemistry study, in: 64th OSU International Symposium on Molecular Spectroscopy. June 22-26, 2009, s.l, s.n, 2009, pp. 288 - 288 (atti di: 64th OSU International Symposium on Molecular Spectroscopy, Columbus, OH. USA, 22-26 giugno 2009) [Contributo in Atti di convegno]
C. Puzzarini; G. Cazzoli; M. E. Harding; J. Gauss, Absolute 17O NMR scale: a joint rotational-spectroscopy and quantum-chemistry study, in: XXIII Congresso Nazionale della Societa' Chimica Italiana. L'energia chimica muove la vita. Atti del Congresso., s.l, Edizioni Ziino, 2009, pp. 197 - 197 (atti di: XXIII Congresso Nazionale della Societa' Chimica Italiana, Sorrento (NA), Italy, 5-10 luglio 2009) [Contributo in Atti di convegno]
C. Puzzarini; G. Cazzoli; J. Gauss, Hyperfine structure of rotational spectra: state-of-the-art experimental and theoretical determinations, in: 21st Colloquium on High Resolution Molecular Spectroscopy, August 31 - September 4, 2009. Book of Abstracts, s.l, s.n, 2009, pp. 177 - 177 (atti di: 21st Colloquium on High Resolution Molecular Spectroscopy, Castellammare di Stabia (NA), Italy, 31 Agosto - 4 Settembre 2009) [Contributo in Atti di convegno]
C. Puzzarini, Molecular structure determination: a testing ground for high-level quantum-chemical computations, in: Quitel 2009. Program and abstracts, s.l, s.n, 2009, pp. 26 - 26 (atti di: XXXV Congress of Theoretical Chemists of Latin Expression, Sna Andres, Colombia, 18-22 settembre 2009) [Contributo in Atti di convegno]
C. Puzzarini; G. Cazzoli; J. Gauss, Silyl fluoride: lamb-dip spectra and equilibrium structure, in: 21st Colloquium on High Resolution Molecular Spectroscopy, August 31 - September 4, 2009. Book of Abstracts, s.l, s.n, 2009, pp. 326 - 326 (atti di: 21st Colloquium on High Resolution Molecular Spectroscopy, Castellammare di Stabia (NA). Italy, 31 Agosto - 4 Settembre 2009) [Riassunto (Abstract)]
C. Puzzarini; G. Cazzoli; M. E. Harding; J. Gauss, A new absolute (17)O NMR scale: rotational spectroscopy and quantum chemical calculations, in: 21st Colloquium on High Resolution Molecular Spectroscopy, August 31 - September 4, 2009. Book of Abstracts, s.l, s.n, 2009, pp. 331 - 331 (atti di: 21st Colloquium on High Resolution Molecular Spectroscopy, Castellammare di Stabia (NA). Italy, 31 Agosto - 4 Settembre 2009) [Riassunto (Abstract)]
C. Puzzarini; G. Cazzoli; M. E. Harding; J. Gauss, A new absolute (17)O NMR scale: rotational spectroscopy and quantum chemical calculations, in: Molecular Properties '09. Bridging the gap between theory and experiment. Program and abstracts., s.l, s.n, 2009, pp. P43 - P43 (atti di: Molecular Properties '09, Oslo, Norway, 18-21 giugno 2009) [Riassunto (Abstract)]
G. Cazzoli; C. Puzzarini; L. Fusina; F. Tamassia, Rotational spectra of deuterated acetylenes: DCCH, D13CCH and DC13CH., «JOURNAL OF MOLECULAR SPECTROSCOPY», 2008, 247, pp. 115 - 118 [Articolo in rivista]
L. Bizzocchi; C. Degli Esposti; L. Dore, Sub-Doppler millimetre-wave spectroscopy of DBS and HBS: accurate values of nuclear electric and magnetic hyperfine structure constants, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2008, 10, pp. 658 - 665 [Articolo in rivista]
C. Puzzarini, Interplay of theory and experiment in rotational spectroscopy, in: TheTIS Workshop. Theoretical Tools for in-silico Spectroscopy, PARIS, s.n, 2008, pp. 25 - 26 (atti di: TheTIS Workshop, Parigi (Ecole Nationale Superieure de Chimie), 14-16 Febbraio 2008) [Contributo in Atti di convegno]
C. Puzzarini, A theoretical investigation on the HCCS radical and its ions, «CHEMICAL PHYSICS», 2008, 346, pp. 45 - 52 [Articolo in rivista]
G. Cazzoli; C. Puzzarini; G. Buffa; O. Tarrini, Pressure-broadening in the THz frequency region: the 1.113 THz line of Water, «JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER», 2008, 109, pp. 1563 - 1574 [Articolo in rivista]
C. Puzzarini; M. Heckert; Jürgen Gauss, The Accuracy of rotational constants predicted by high-level quantum-chemical calculations. I. Molecules containing first-row atoms, «THE JOURNAL OF CHEMICAL PHYSICS», 2008, 128, pp. 194108-1 - 194108-9 [Articolo in rivista]