146 citations · 416 across the 15 of their papers we have counts for
16 papers
Collisional excitation of PO by -H
F. Tonolo, L. Bizzocchi, V. M. Rivilla +3
We report the derivation of rate coefficients for the rotational (de-)excitation of PO induced by collisions with H. The calculations were performed on a four-dimensional p…
Hyperfine resolved rate coefficients of HC17O+ with H2 (j = 0)
Francesca Tonolo, François Lique, Mattia Melosso +2
The formyl cation (HCO+) is one of the most abundant ions in molecular clouds and plays a major role in the interstellar chemistry. For this reason, accurate collisional rate coeff…
Precursors of the RNA-world in space: Detection of ()-1,2-ethenediol in the interstellar medium, a key intermediate in sugar formation
Víctor M. Rivilla, Laura Colzi, Izaskun Jiménez-Serra +20
We present the first detection of ()-1,2-ethenediol, (CHOH), the enol form of glycolaldehyde, in the interstellar medium towards the G+0.693-0.027 molecular cloud located in…
An improved study of HCO+ and He system: interaction potential, collisional relaxation and pressure broadening
F. Tonolo, L. Bizzocchi, M. Melosso +4
In light of its ubiquitous presence in the interstellar gas, the chemistry and reactivity of the HCO+ ion requires special attention. The availability of up-to-date collisional dat…
The junChS and junChS-F12 models: parameter-free efficient yet accurate composite schemes for energies and structures of non-covalent complexes
Jacopo Lupi, Silvia Alessandrini, Cristina Puzzarini +1
A recently developed model chemistry (denoted as junChS [Alessandrini et al J. Chem. Theory Comput. 2020, 16, 988-1006]) has been extended to the employment of explicitly-correlate…
Formation of phosphorus monoxide (PO) in the interstellar medium: insights from quantum-chemical and kinetic calculations
Juan García de la Concepción, Cristina Puzzarini, Vincenzo Barone +2
In recent years, phosphorus monoxide (PO) -- an important molecule for prebiotic chemistry -- has been detected in star-forming regions and in the comet 67P/Churyumov-Gerasimenko.…
An improved rovibrational linelist of formaldehyde, \spec{h212c16o}
Afaf R. Al-Derzi, Jonathan Tennyson, Sergei N. Yurchenko +7
Published high-resolution rotation-vibration transitions of \spec{h212c16o}, the principal isotopologue of methanal, are analyzed using the MARVEL (Measured Active Rotation-Vibrati…
Methanimine as a key precursor of imines in the interstellar medium: the case of propargylimine
Jacopo Lupi, Cristina Puzzarini, Vincenzo Barone
A gas-phase formation route is proposed for the recently detected propargylimine molecule. In analogy to other imines, such as cyanomethanimine, the addition of a reactive radical…
The Role of State-of-the-Art Quantum-Chemical Calculations in Astrochemistry: Formation Route and Spectroscopy of Ethanimine as a Paradigmatic Case
Carmen Baiano, Jacopo Lupi, Nicola Tasinato +2
The gas-phase formation and spectroscopic characteristics of ethanimine have been re-investigated as a paradigmatic case illustrating the accuracy of state-of-the-art quantum-chemi…
State-of-the-Art Quantum Chemistry Meets Variable Reaction Coordinate Transition State Theory to Solve the Puzzling Case of the H2S + Cl System
Jacopo Lupi, Cristina Puzzarini, Carlo Cavallotti +1
The atmospheric reaction of HS with Cl has been reinvestigated to check if, as previously suggested, only explicit dynamical computations can lead to an accurate evaluation of…
The quest for a plausible formation route of formyl cyanide in the interstellar medium: a state-of-the-art quantum-chemical and kinetic approach
F. Tonolo, J. Lupi, C. Puzzarini +1
Interstellar complex organic molecules (iCOMs) are assumed to be mainly formed on dust-grain surfaces. However, neutral gas-phase reactions in the interstellar medium (ISM) can pla…
A twist on the reaction of the CN radical with methylamine in the interstellar medium: new hints from a state-of-the-art quantum-chemical study
C. Puzzarini, Z. Salta, N. Tasinato +3
Despite the fact that the majority of current models assume that interstellar complex organic molecules (iCOMs) are formed on dust-grain surfaces, there is some evidence that neutr…
A Systematic Study on the Absorption Features of Interstellar Ices in Presence of Impurities
Prasanta Gorai, Milan Sil, Ankan Das +12
Spectroscopic studies play a key role in the identification and analysis of interstellar ices and their structure. Some molecules have been identified within the interstellar ices…
The genealogical tree of ethanol: gas-phase formation of glycolaldehyde, acetic acid and formic acid
Dimitrios Skouteris, Nadia Balucani, Cecilia Ceccarelli +5
Despite the harsh conditions of the interstellar medium, chemistry thrives in it, especially in star forming regions where several interstellar complex organic molecules (iCOMs) ha…
Theory of Gas Phase Scattering and Reactivity for Astrochemistry
Laurent Wiesenfeld, Wing-Fai Thi, Paola Caselli +13
Because of the very peculiar conditions of chemistry in many astrophysical gases (low densities, mostly low temperatures, kinetics-dominated chemical evolution), great efforts have…
Rare isotopic species of sulphur monoxide: the rotational spectrum in the THz region
Valerio Lattanzi, Gabriele Cazzoli, Cristina Puzzarini
Many sulphur-bearing species have been detected in different astronomical environments and have allowed to derive important information about the chemical and physical composition…