List of Publications from the Rot&Comp Lab
C. Puzzarini; J. Cosléou; P. Cacciani; F. Herlemont; M. Khelkhal, CH3F: the magnetic interactions at the origin of the nuclear spin conversion, «CHEMICAL PHYSICS LETTERS», 2005, 401, pp. 357 - 362 [Scientific article]
C. Puzzarini; P. R. Taylor, An ab initio study of the structure, torsional potential energy function and electric properties of disilane, ethane and their deuterated isotopomers, «THE JOURNAL OF CHEMICAL PHYSICS», 2005, 122, pp. 054315-1 - 054315-10 [Scientific article]
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 [Scientific article]
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 [Scientific article]
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]