List of Publications from the Rot&Comp Lab
C. Puzzarini, Theoretical study of XPO (X=H,F,Cl,Br) molecules: structural and molecular properties, «JOURNAL OF MOLECULAR STRUCTURE», 2006, 780-781, pp. 238 - 246 [Scientific article]
C. J. Cramer; M. Włoch; P. Piecuch; C. Puzzarini; L. Gagliardi, Theoretical Models on the Cu2O2 Torture Track. Mechanistic Implications for Oxytyrosinase and Small-molecule Analogs, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2006, 110, pp. 1991 - 2004 [Scientific article]
A. Rizzo; C. Puzzarini; S. Coriani; J. Gauss, The nuclear spin rotation constants of HCY, HSiY, and SiY2 (Y=F, Cl). An ab initio study, «THE JOURNAL OF CHEMICAL PHYSICS», 2006, 124, pp. 064302-1 - 064302-10 [Scientific article]
C. Puzzarini; G. Cazzoli, Rotational Spectroscopy: A Powerful Tool for Atmospheric and Interstellar-Space Chemistry, in: The 19th International Conference on High Reolution Molecular Spectroscopy, PRAGA, ITC Press, 2006, pp. 43 - 43 (atti di: The 19th International Conference on High Reolution Molecular Spectroscopy, Praga, 29/8/2006 - 2/9/2006) [Abstract]
G. Cazzoli; C. Puzzarini, Ground state rotational spectrum of nitrogen trifluoride: the K=3 splittings of 14NF3 and 15NF3, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2006, 239, pp. 59 - 63 [Scientific article]
G. Cazzoli; C. Puzzarini, The Lamb-dip spectrum of phosphine: the nuclear hyperfine structure due to hydrogen and phosphorus, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2006, 239, pp. 64 - 70 [Scientific article]
G. Cazzoli; C. Puzzarini; A. Gambi; J. Gauss, Rotational spectra of 1-chloro-2-fluoroethylene. I. Main isotopologues and deuterated species of the trans isomer, «THE JOURNAL OF CHEMICAL PHYSICS», 2006, 125, pp. 054313-1 - 054313-8 [Scientific article]
C. Puzzarini; G. Cazzoli; A. Gambi; J. Gauss, Rotational spectra of 1-chloro-2-fluoroethylene. II. Equilibrium structure of the cis and trans isomers, «THE JOURNAL OF CHEMICAL PHYSICS», 2006, 125, pp. 054307-1 - 054307-8 [Scientific article]
G. Cazzoli; C. Puzzarini, Observation of OD- using microwave spectroscopy: a new candidate for astrophysical detection?, «THE ASTROPHYSICAL JOURNAL», 2006, 648, pp. L79 - L81 [Scientific article]
G. Cazzoli; C. Puzzarini, The Lamb-dip spectrum of methylcyanide: precise rotational transition frequencies and improved ground state rotational parameters, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2006, 240, pp. 153 - 163 [Scientific article]
C. Puzzarini; G. Cazzoli, Equilibrium structure of methylcyanide, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2006, 240, pp. 260 - 264 [Scientific article]
G. Cazzoli; C. Puzzarini; G. Buffa; O. Tarrini, Pressure-broadening of the 22.2 GHz line of Water: basic results for Remote Sensing of the Atmosphere, in: Remote Sensing of the Atmosphere for Environmental Security, DORDRECHT, Springer, 2006, pp. 237 - 255 (NATO Security through Science, Series C: Environmental Security) [Chapter or essay]
M. Mladenović ; P. Botschwina; C. Puzzarini, Six-dimensional potential energy surface and rovibrational energies of the HCCN radical in the ground electronic state, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2006, 110, pp. 5520 - 5529 [Scientific article]
M. Tudorié ; P. Cacciani; J. Cosléou; F. Herlemont; M. Khelkhal; C. Puzzarini; S. Maret; C. Kahane, Nuclear spin conversion of formaldehyde in protostars environments induced by non reactive collisions, «ASTRONOMY & ASTROPHYSICS», 2006, 453, pp. 755 - 759 [Scientific article]
L. Bizzocchi; C. Degli Esposti; C. Puzzarini, Millimetre-wave spectroscopy and ab initio calculations for fluorophosphaethyne (FCP), «MOLECULAR PHYSICS», 2006, 104, pp. 2627 - 2640 [Scientific article]
C. Puzzarini, How accurately can structural, spectroscopic and thermochemical properties be predicted by ab initio computations?, in: VI Convegno Nazionale del Gruppo Interdivisionale di Chimica Computazionale della Società di Chimica Italiana - Isola di San Servolo - GICC06, VENEZIA, s.n, 2006, pp. 46 - 46 (atti di: VI Convegno Nazionale del Gruppo Interdivisionale di Chimica Computazionale della Società di Chimica Italiana, Isola di San Servolo (Venezia), 18-21/12/2006) [Abstract]
C. Puzzarini, How accurately can structural, spectroscopic and thermochemical properties be predicted by ab initio computations?, in: Lecture series on Computer and Computational Sciences - Trends and perspectives in modern computational science, LEIDEN, Brill Academic Publishers, 2006, 6, pp. 416 - 425 (atti di: International Conference of Computational Methods in Sciences and Engineering 2006 (ICCMSE 2006), Chania, Crete, Greece, 27/10-1/11 2006) [Contribution to conference proceedings]
M. Tudorie; P. Cacciani; J. Cosléou; F. Herlemont; M. Khelkhal; C. Puzzarini; S. Maret; and C. Kahane, NUCLEAR SPIN CONVERSION OF FORMALDEHYDE IN PROTOSTAR ENVIRONMENTS INDUCED BY NON REACTIVE COLLISIONS, in: The 19th International Conference on High Reolution Molecular Spectroscopy, PRAGA, ITC Press, 2006, pp. 167 - 167 (atti di: The 19th International Conference on High Reolution Molecular Spectroscopy, Praga, 29/8/2006 - 2/9/2006) [Abstract]
C. Puzzarini, Triatomic molecules, radicals and ions: how accurate can ab initio calculations be?, in: Science and Supercomputing at Cineca - Report 2005, BOLOGNA, CINECA (printed by Monograf s.r.l.), 2006, pp. 183 - 188 (Science and Supercomputing at Cineca) [Chapter or essay]
A. Gambi; C. Puzzarini, Theoretical Investigations of H2CN2 molecule, HCN2 radicals and their Ions, in: Science and Supercomputing at Cineca - Report 2005, BOLOGNA, CINECA (printed by: Monograf s.r.l.), 2006, pp. 261 - 270 (Science and Supercomputing at Cineca) [Chapter or essay]