Pubblicazioni del ROT&Comp Lab
C. Puzzarini; A. Gambi, The energetics and structural properties of diazomethyl (HCNN) and cyanomidyl (HNCN) radicals and their related cations and anions from ab initio calculations, «THE JOURNAL OF CHEMICAL PHYSICS», 2005, 122, pp. 064316-1 - 064316-10 [Articolo in rivista]
C. Puzzarini; K. A. Peterson, An ab initio study of the lowest electronic states of yttrium dicarbide, YC2, «THE JOURNAL OF CHEMICAL PHYSICS», 2005, 122, pp. 084323-1 - 084323-9 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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) [Riassunto (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) [Riassunto (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) [Riassunto (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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
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 [Articolo in rivista]
L. Bizzocchi; C. Degli Esposti, Laboratory transition frequencies for millimeter-wave lines of vibrationally excited HC7N., «THE ASTROPHYSICAL JOURNAL», 2004, 614, pp. 518 - 524 [Articolo in rivista]