List of Publications from the Rot&Comp Lab
Cazzoli, Gabriele; Lattanzi, Valerio; Alonso, Joséluis L.; Gauss, Jürgen; Puzzarini, Cristina, THE HYPERFINE STRUCTURE of the ROTATIONAL SPECTRUM of HDO and ITS EXTENSION to the THz REGION: ACCURATE REST FREQUENCIES and SPECTROSCOPIC PARAMETERS for ASTROPHYSICAL OBSERVATIONS, «THE ASTROPHYSICAL JOURNAL», 2015, 806, pp. 100-1 - 100-6 [Scientific article]
Hochlaf, M; Puzzarini, C.; Senent, M.L., Towards the computations of accurate spectroscopic parameters and vibrational spectra for organic compounds, «MOLECULAR PHYSICS», 2015, 113, pp. 1661 - 1673 [Scientific article]
Puzzarini, C., Structure Prediction, in: Elsevier Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Waltham, MA, Elsevier Inc., 2015, pp. 1 - 10 [Chapter or essay]
Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Cimino, Paola; Penocchio, Emanuele; Puzzarini, Cristina, CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2015, 11, pp. 4342 - 4363 [Scientific article] Open Access
Lattanzi, Valerio; Cazzoli, Gabriele; Puzzarini, Cristina, Rare isotopic species of sulfur monoxide: The rotational spectrum in the thz region, «THE ASTROPHYSICAL JOURNAL», 2015, 813, pp. 4-1 - 4-6 [Scientific article]
Bellili, A.; Linguerri, R.; Hochlaf, M.; Puzzarini, C, Accurate structural and spectroscopic characterization of prebiotic molecules: The neutral and cationic acetyl cyanide and their related species, «THE JOURNAL OF CHEMICAL PHYSICS», 2015, 143, pp. 184314-1 - 184314-12 [Scientific article]
Puzzarini, Cristina, Isomerism of Cyanomethanimine: Accurate Structural, Energetic, and Spectroscopic Characterization, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2015, 119, pp. 11614 - 11622 [Scientific article]
Puzzarini, Cristina; Biczysko, Malgorzata, Computational Spectroscopy Tools for Molecular Structure Analysis, in: Structure Elucidation in Organic Chemistry: The Search for the Right Tools, Weinheim, Wiley Blackwell, 2015, pp. 27 - 64 [Chapter or essay]
Bizzocchi, L.; Tamassia, Filippo; Fusina, Luciano; Cane', Elisabetta; Villa, Mattia; DEGLI ESPOSTI, Claudio; Dore, Luca, THE HIGH RESOLUTION INFRARED SPECTRA OF C4HD AND C4D2, in: THE 23TH INTERNATIONAL CONFERENCE ON THE HIGH RESOLUTION MOLECULAR SPECTROSCOPY BOOK OF ABSTRACT, 2014, pp. 286 - 286 (atti di: THE 23TH INTERNATIONAL CONFERENCE ON THE HIGH RESOLUTION MOLECULAR SPECTROSCOPY, BOLOGNA ITALIA, 2-6 SETTEMBRE 2014) [Poster]
C. Puzzarini;M. L. Senent;R. Domínguez-Gómez;M. Carvajal;M. Hochlaf;M. Mogren Al-Mogren, ACCURATE SPECTROSCOPIC CHARACTERIZATION OF ETHYL MERCAPTAN AND DIMETHYL SULFIDE ISOTOPOLOGUES: A ROUTE TOWARD THEIR ASTROPHYSICAL DETECTION, «THE ASTROPHYSICAL JOURNAL», 2014, 796, pp. 50/1 - 50/11 [Scientific article]
Nicola Tasinato; Arianna Turchetto; Cristina Puzzarini; Paolo Stoppa; Andrea Pietropolli Charmet; Santi Giorgianni, Self-, N2-, O2-broadening coefficients and line parameters of HFC-32 for ν7 band and ground state transitions from infrared and microwave spectroscopy, «MOLECULAR PHYSICS», 2014, 112, pp. 2384 - 2396 [Scientific article]
Cristina Puzzarini; Emanuele Penocchio; Malgorzata Biczysko; Vincenzo Barone, Molecular Structure and Spectroscopic Signatures of Acrolein: Theory Meets Experiment, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2014, 118, pp. 6648 - 6656 [Scientific article]
M. L. Senent; C. Puzzarini; M. Hochlaf; R. Domínguez-Gómez; M. Carvajal, Theoretical spectroscopic characterization at low temperatures of S-methyl thioformate and O-methyl thioformate, «THE JOURNAL OF CHEMICAL PHYSICS», 2014, 141, pp. 104303-1 - 104303-10 [Scientific article]
Cristina Puzzarini; Ashraf Ali; Malgorzata Biczysko; Vincenzo Barone, ACCURATE SPECTROSCOPIC CHARACTERIZATION OF PROTONATED OXIRANE: A POTENTIAL PREBIOTIC SPECIES IN TITAN'S ATMOSPHERE, «THE ASTROPHYSICAL JOURNAL», 2014, 792, pp. 118-1 - 118-6 [Scientific article]
Vincenzo Barone; Malgorzata Biczysko; Julien Bloino; Cristina Puzzarini, Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane, «THE JOURNAL OF CHEMICAL PHYSICS», 2014, 141, pp. 034107-1 - 034107-17 [Scientific article]
Gabriele Cazzoli; Cristina Puzzarini; Jürgen Gauss, Rare isotopic species of hydrogen sulfide: the rotational spectrum of H2(36)S, «ASTRONOMY & ASTROPHYSICS», 2014, 566, pp. A52-1 - A52-7 [Scientific article]
Cristina Puzzarini; Malgorzata Biczysko; Julien Bloino; Vincenzo Barone, ACCURATE SPECTROSCOPIC CHARACTERIZATION OF OXIRANE: A VALUABLE ROUTE TO ITS IDENTIFICATION IN TITAN'S ATMOSPHERE AND THE ASSIGNMENT OF UNIDENTIFIED INFRARED BANDS, «THE ASTROPHYSICAL JOURNAL», 2014, 785, pp. 107-1 - 107-8 [Scientific article]
Gabriele Cazzoli; Cristina Puzzarini, The rotational spectrum of hydrogen sulfide: The H2(33)S and H2(32)S isotopologues revisited, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2014, 298, pp. 31 - 37 [Scientific article]
M. L. Senent; C. Puzzarini; R. Domínguez-Gómez; M. Carvajal; M. Hochlaf, Theoretical spectroscopic characterization at low temperatures of detectable sulfur-organic compounds: Ethyl mercaptan and dimethyl sulfide, «THE JOURNAL OF CHEMICAL PHYSICS», 2014, 140, pp. 124302-1 - 124302-13 [Scientific article]
Cristina Puzzarini; Malgorzata Biczysko; Vincenzo Barone; Laura Largo; Isabel Peña; Carlos Cabezas; José Luis Alonso, Accurate Characterization of the Peptide Linkage in the Gas Phase: A Joint Quantum-Chemical and Rotational Spectroscopy Study of the Glycine Dipeptide Analogue, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2014, 5, pp. 534 - 540 [Scientific article]