Pubblicazioni del ROT&Comp Lab
M. Biczysko; J. Bloino; G. Brancato; I. Cacelli; C. Cappelli; A. Ferretti; A. Lami; S. Monti; A. Pedone; G. Prampolini; C. Puzzarini; F. Santoro; F. Trani; G. Villani, Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: Pyrimidine as a test case, «THEORETICAL CHEMISTRY ACCOUNTS», 2012, 131, pp. 1201 - 1220 [Articolo in rivista]
C. Puzzarini; A. Gambi, A theoretical study on CH2N2 isomers: structure and energetics, «THEORETICAL CHEMISTRY ACCOUNTS», 2012, 131, pp. 1135 - 1144 [Articolo in rivista]
C. Puzzarini, A theoretical study of the CX2N isomers (X=F,Cl,Br): the effect of X substitution on structure, isomerization and energetics, «THE JOURNAL OF CHEMICAL PHYSICS», 2012, 136, pp. 044316/1 - 044316/10 [Articolo in rivista]
Puzzarini C., Molecular structure of thiourea, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2012, 116, pp. 4381 - 4387 [Articolo in rivista]
G. Cazzoli; C. Puzzarini, N2-, O2-, H2-, and He-broadening of SO2 rotational lines in the mm-/submm-wave and THz frequency regions: The J and Ka dependence, «JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER», 2012, 113, pp. 1051 - 1057 [Articolo in rivista]
C. Puzzarini, Atmospheric and astrophysical investigations: the role of rotational spectroscopy, in: XVII symposium on high resolution molecular spectroscopy, TOMSK, Institut of Atmospheric Optics, 2012, pp. 118 - 118 (atti di: HighRus-2012. XVII symposium on high resolution molecular spectroscopy, Zelenogorsk (St. Petersburg), Russia, July 2-7, 2012) [Riassunto (Abstract)]
C. Puzzarini; G. Cazzoli; J. C. Lopez; J. L. Alonso; A. Baldacci; A. Baldan; S. Stopkowicz; L. Cheng; J. Gauss, Rotational spectra of rare isotopic species of fluoroiodomethane: determination of the equilibrium structure from rotational spectroscopy and quantum-chemical calculations., «THE JOURNAL OF CHEMICAL PHYSICS», 2012, 137, pp. 024310 /1 - 024310/11 [Articolo in rivista]
C. Puzzarini; G. Cazzoli; J. Gauss, The rotational spectra of HD(17)O and D2(17)O: Experiment and quantum-chemical calculations, «THE JOURNAL OF CHEMICAL PHYSICS», 2012, 137, pp. 154311/1 - 154311/9 [Articolo in rivista]
G. Cazzoli; C. Puzzarini; J. Gauss, Rotational spectrum of silyl chloride: hyperfine structure and equilibrium geometry, «MOLECULAR PHYSICS», 2012, 110, pp. 2359 - 2369 [Articolo in rivista]
S. Coriani; C. Puzzarini; A. Rizzo, First-order properties and Buckingham birefringence of N2O and OCS – A computational (re)investigation, «MOLECULAR PHYSICS», 2012, 110, pp. 2543 - 2555 [Articolo in rivista]
L. Dore; L. Bizzocchi; C. Degli Esposti, Accurate rotational rest-frequencies of CH2NH at submillimetre wavelengths, «ASTRONOMY & ASTROPHYSICS», 2012, 544, pp. A19,1 - A19,6 [Articolo in rivista]
Degli Esposti C.; Dore L.; Bizzocchi L., Submillimetre-wave Spectroscopy of Unstable Imines of Astrophysical Interest: CH2NH and CH2CNH., in: The 22nd International Conference on High Resolution Molecular Spectroscopy., PRAGUE, ICT prague Press, 2012, pp. 140 - 140 (atti di: The 22nd International Conference on High Resolution Molecular Spectroscopy., Praga, 4-8 settembre 2012) [Riassunto (Abstract)]
G. Cazzoli; L. Cludi; G. Buffa; C. Puzzarini, Precise THz measurements of HCO+, N2H+ and CF+ for astrophysical observations, «ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES», 2012, 203, pp. 11/1 - 11/9 [Articolo in rivista]
C. Puzzarini; G. Cazzoli; J. Vazquez; M. E. Harding; J. Gauss, The rotational spectra of D2(17)O and HD(17)O: accurate spectroscopic and hyperfine parameters., in: The 22nd International Conference on High Resolution Molecular Spectroscopy, PRAGA, J. Koubek, P. Pracna, T. Uhlikova, S. Urban, 2012, pp. 101 - 101 (atti di: The 22nd International Conference on High Resolution Molecular Spectroscopy, Praga, 4-8 Settembre 2012) [Riassunto (Abstract)]
C. Puzzarini, Astrophysical investigations: the role of rotational spectroscopy, in: From Astrophysics to astrochemistry towards astrobiology, «VIRT&L-COMM», 2012, Special Issue, pp. 32 - 32 (atti di: From Astrophysics to astrochemistry towards astrobiology, Perugia, 19-21 settembre 2012) [Riassunto (Abstract)]
A. Pietropolli-Charmet; P. Stoppa; N. Tasinato; S. Giorgianni; C. Puzzarini; M. Biczysko; J. Bloino; C. Cappelli; I. Carmineo, IR spectroscopy of HCFC-31 from FAR up to the NIR region: a combined experimental and computational study, in: The 22nd International Conference on High Resolution Molecular Spectroscopy, PRAGA, J. Koubek, P. Pracna, T. Uhlikova, S. Urban, 2012, pp. 54 - 54 (atti di: The 22nd International Conference on High Resolution Molecular Spectroscopy, Praga, 4-8 Settembre 2012) [Poster]
P. Cacciani; P. Cermak; J. Cosleou; M. Khelkhal; C. Puzzarini, Nuclear Spin Conversion in Methane, in: The 22nd International Conference on High Resolution Molecular Spectroscopy, PRAGA, J. Koubek, P. Pracna, T. Uhlikova, S. Urban, 2012, pp. 139 - 139 (atti di: The 22nd International Conference on High Resolution Molecular Spectroscopy, Praga, 4) [Poster]
J. Liévin; J. Demaison; M. Herman; A. Fayt; C. Puzzarini, Comparison of the experimental, semi-experimental and ab initio equilibrium structures of acetylene: influence of relativistic effects and of diagonal Born-Oppenheimer corrections, «THE JOURNAL OF CHEMICAL PHYSICS», 2011, 134, pp. 064119/1 - 064119/8 [Articolo in rivista]
G. Cazzoli; L. Cludi; C. Puzzarini; P. Stoppa; A. Pietropolli Charmet; N. Tasinato; A. Baldacci; A. Baldan; S. Giorgianni; R. W. Larsen; S. Stopkowicz; J. Gauss, Microwave, High-Resolution Infrared, and Quantum-Chemical Investigations of CHBrF2: the Ground and v4 =1 States, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2011, 115, pp. 453 - 459 [Articolo in rivista]
G. De Pretis; A. Cartoni; M. Rosi; V. Barone; C. Puzzarini; A. Troiani, The proton affinity and gas-phase basicity of sulfur dioxide, «CHEMPHYSCHEM», 2011, 12, pp. 112 - 115 [Articolo in rivista]