Cristina Puzzarini

TL;DR: State-of-the-art computational methods and approaches have been employed to determine highly accurate fundamental vibrational frequencies and rotational parameters of oxirane, and it is confident that the highly accurate spectroscopic data provided herein can be useful for identification of oxire in Titan's atmosphere and the assignment of unidentified infrared bands.

TL;DR: In this paper, a new scheme for the gas phase synthesis of glycolaldehyde, a species with a prebiotic potential and for which no gas-phase formation route was previously known, was proposed.

TL;DR: The accurate quantum-chemical prediction of the relevant spectroscopic parameters played a crucial role in the line search and assignment as well as in supporting the fitting procedure, thus allowing the accurate determination of the ground-state rotational and centrifugal-distortion constants.

TL;DR: In this paper, the Lamb-dip technique was used to resolve the hyperfine structure due to the hydrogens and to provide accurate hyperfine constants for the main isotopic species of water in the millimeter-and submillimeter-wave region.

TL;DR: The structure, harmonic frequencies, and hyperfine couplings of F(2)NO have been computed by the coupled cluster ansatz using a hierarchical series of basis sets and extrapolation procedures to reach the complete basis set limit.