Thesis Collection
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Browsing by Author "Puzzarini, C."
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Accurate spectroscopic characterization of ethyl mercaptan and dimethyl sufide isotopologues : a rute toward their astrophysical detection
Puzzarini, C.; Senent, María Luisa; Domínguez Gómez, R.; Carvajal Zaera, Miguel
; Hochlaf, M.; Al-Mogren, Muneerah Mogren (American Astronomical Society, 2014)
Using state-of-the-art computational methodologies, we predict a set of reliable rotational and torsional parameters for ethyl mercaptan and dimethyl sulfide monosubstituted isotopologues. This includes rotational, quartic, ... -
Theoretical spectroscopic characterization at low temperatures of detectable sulfurorganic compounds : ethyl mercaptan and dimethyl sulfide
Senent, María Luisa; Puzzarini, C.; Domínguez Gómez, R.; Carvajal Zaera, Miguel; Hochlaf, M. (AIP Publishing, 2014)
Highly correlated ab initio methods are used for the spectroscopic characterization of ethyl mercaptan (CH3CH2 (32)SH, ETSH) and dimethyl sulfide (CH3 (32)SCH3, DMS), considering them on the vibrational ground and excited ...
