List of Publications from the Rot&Comp Lab
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) [Contribution to conference proceedings]
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) [Contribution to conference proceedings]
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) [Contribution to conference proceedings]
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) [Contribution to conference proceedings]
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) [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) [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) [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 [Scientific article]
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 [Scientific article]
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) [Contribution to conference proceedings]
C. Puzzarini, A theoretical investigation on the HCCS radical and its ions, «CHEMICAL PHYSICS», 2008, 346, pp. 45 - 52 [Scientific article]
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 [Scientific article]
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 [Scientific article]
C. Puzzarini, Ab initio characterization of XH3 (X=N,P). I. Ammonia, phosphine, and their related ions and radicals: structure and thermochemistry, «THEORETICAL CHEMISTRY ACCOUNTS», 2008, 120, pp. 325 - 336 [Scientific article]
C. Puzzarini, Ab initio characterization of XH3 (X=N,P). II. Electric, magnetic and spectroscopic properties of ammonia and phosphine, «THEORETICAL CHEMISTRY ACCOUNTS», 2008, 121, pp. 1 - 10 [Scientific article]
G. Cazzoli; C. Puzzarini, Lamb-dip spectrum of methylacetylene and methyldiacetylene: precise rotational transition frequencies and parameters of the main isotopic species, «ASTRONOMY & ASTROPHYSICS», 2008, 487, pp. 1197 - 1202 [Scientific article]
C. Puzzarini; V. Barone, A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations, «CHEMICAL PHYSICS LETTERS», 2008, 462, pp. 49 - 52 [Scientific article]
C. Puzzarini; V. Barone, Toward spectroscopic accuracy for organic free radicals: molecular structure, vibrational spectrum and magnetic properties of F2NO, «THE JOURNAL OF CHEMICAL PHYSICS», 2008, 129, pp. 084306-1 - 084306-7 [Scientific article]
G. Cazzoli; L. Cludi; M. Contento; C. Puzzarini, Rotational spectrum of CH3C(13)CCCH: determination of the equilibrium structure of methyldiacetylene from microwave spectroscopy and ab initio calculations, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2008, 251, pp. 229 - 234 [Scientific article]
F. Rohart; J.-M. Colmont; G. Wlodarczak; G. Cazzoli; L. Dore; C. Puzzarini, Galatry versus Speed Dependent Voigt Profiles for Millimeter Lines of O3 in Collision with N2 and O2, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2008, 251, pp. 282 - 292 [Scientific article]