List of Publications from the Rot&Comp Lab
C. Puzzarini; K. A. Peterson, Multiple bonds to gold: A theoretical investigation of XAuC (X=F,Cl,Br,I) molecules, «CHEMICAL PHYSICS», 2005, 311, pp. 177 - 186 [Scientific article]
C. Puzzarini; S. Coriani; A. Rizzo; J. Gauss, Critical analysis of the spin-rotation constants of CF2 and CCl2: a theoretical study, «CHEMICAL PHYSICS LETTERS», 2005, 409, pp. 118 - 123 [Scientific article]
C. Puzzarini, The HCS/HSC and HCS+/HSC+ systems: molecular properties, isomerization, and energetics, «THE JOURNAL OF CHEMICAL PHYSICS», 2005, 123, pp. 024313-1 - 024313-14 [Scientific article]
K. A. Peterson; C. Puzzarini, Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements, «THEORETICAL CHEMISTRY ACCOUNTS», 2005, 114, pp. 283 - 296 [Scientific article]
C. Puzzarini; G. Cazzoli, Fine- and hyperfine-structure of rotational spectra: microwave spectroscopy and ab initio computations, in: Società Chimica Italiana - Divisione di Chimica Fisica - 34° Congresso Nazionale, SIENA, Paolo Defazio, 2005, pp. 54 - 54 (atti di: 34° Congresso Nazionale della Società Chimica Italiana - Divisione di Chimica Fisica, Siena, 20-24 Giugno 2005) [Abstract]
J.-R. Aviles Moreno; T. Deleponte; T. R. Huet; C. Puzzarini; D. Petitprez, The rotational spectrum of benzamide: microwave transform spectroscopy and ab initio calculations, in: "The 19th Colloquium on High Resolution Molecular Spectroscopy", SALAMANCA, D. Bermejo, J. L. Doménech, M. A. Moreno, 2005, pp. 385 - 385 (atti di: Salamanca 2005. Nineteenth Colloquium on High Resolution Molecular Spectroscopy, Salamanca (Spain), 11-16 Settembre 2005) [Abstract]
C. Puzzarini, The HCS/HSC and HCS+/HSC+ systems: molecular properties, isomerization, and energetics, in: 13th European Seminar on Computational Methods in Quantum Chemistry, SMOLENICE, s.n, 2005, pp. P18 - P18 (atti di: '13th Strasbourg Seminar. 13th European Seminar on Computational Methods in Quantum Chemistry', Smolenice (Slovakia), 21-25 Settembre 2005) [Abstract]
Brizzi G.; Puzzarini C.; Perrin A.; Orphal J.; Willner H.; Garcia P., High resolution Fourier transform infrared spectrum of 79Br 14N18O: Analysis of the ν1 band, «JOURNAL OF MOLECULAR STRUCTURE», 2005, 742, pp. 37 - 41 [Scientific article]
G. Cazzoli; C. Puzzarini; L. Dore., Self-, N2- and O2-broadening of pure rotational transitions of HFC-134a., «JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER», 2004, 83, pp. 699 - 710 [Scientific article]
G. Cazzoli; C. Puzzarini; A. Gambi., Trans-1-chloro-2-fluoroethylene: Microwave spectra and anharmonic force field., «THE JOURNAL OF CHEMICAL PHYSICS», 2004, 120, pp. 6495 - 6501 [Scientific article]
G. Cazzoli ; C. Puzzarini, Hyperfine structure of the J = 1 - 0 transition of H35Cl and H37Cl: improved ground state parameters., «JOURNAL OF MOLECULAR SPECTROSCOPY», 2004, 226, pp. 161 - 168 [Scientific article]
C. Puzzarini; A. Gambi; G. Cazzoli, An ab initio study of diazirine: equilibrium structure and molecular properties., «JOURNAL OF MOLECULAR STRUCTURE», 2004, 695-696, pp. 203 - 210 [Scientific article]
G. Cazzoli; C. Puzzarini; A.V. Lapinov, Precise laboratory frequencies for the J ← J - 1 (J = 1, 2, 3, 4) rotational transitions of 13CO., «THE ASTROPHYSICAL JOURNAL», 2004, 611, pp. 615 - 620 [Scientific article]
G. Cazzoli ; C. Puzzarini, Hyperfine structure of the J = 1 - 0 and J = 2 - 1 transitions of D35Cl and D37Cl., «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2004, 6, pp. 5133 - 5139 [Scientific article]
L. Bizzocchi; C. Degli Esposti; P. Botschwina., Vibrationally excited states of NC4P: millimetre-wave spectroscopy and coupled cluster calculations., «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2004, 6, pp. 46 - 50 [Scientific article]
L. Bizzocchi; C. Degli Esposti; P. Botschwina, Millimeter-wave spectroscopy of rare isotopomers of HC5N and DC5N: determination of a mixed experimental-theoretical equilibrium structure for cyanobutadiyne., «JOURNAL OF MOLECULAR SPECTROSCOPY», 2004, 225, pp. 145 - 151 [Scientific article]
K.M.T. Yamada; C. Degli Esposti; P. Botschwina; P. Forster; L. Bizzocchi; S. Thorwirth; G. Winnewisser, Millimeter-wave spectroscopy of HC5N in vibrationally excited states below 500 cm-1., «ASTRONOMY & ASTROPHYSICS», 2004, 425, pp. 767 - 772 [Scientific article]
L. Bizzocchi; C. Degli Esposti, Laboratory transition frequencies for millimeter-wave lines of vibrationally excited HC7N., «THE ASTROPHYSICAL JOURNAL», 2004, 614, pp. 518 - 524 [Scientific article]
L. Dore; P. Caselli; S. Beninati; T. Bourke; P. C. Myers; G. Cazzoli, Laboratory and radio-astronomical spectroscopy of the hyperfine structure of N2D+, «ASTRONOMY & ASTROPHYSICS», 2004, 413, pp. 1177 - 1181 [Scientific article]
L. Bizzocchi; C. Degli Esposti, Laboratory transition frequencies for millimeter-wave lines of vibrationally excited HC7N., in: The 18th International Conference on High Resolution Molecular Spectroscopy, PRAGUE, O. Bludsky, P. Pracna, V. Spirko, S. Urban, 2004, pp. 83 - 83 (atti di: The 18th International Conference on High Resolution Molecular Spectroscopy - PRAHA 2004., Prague, 8-12 Settembre 2004) [Abstract]