11 citations · 20 across the 4 of their papers we have counts for
4 papers
Gas phase Elemental abundances in Molecular cloudS (GEMS) VIII. Unlocking the CS chemistry: the CH + S CS + H and C + S CS + C reactions
Carlos M. R. Rocha, Octavio Roncero, Niyazi Bulut +15
We revise the rates of reactions CH + S -> CS + H and C_2 + S -> CS + C, important CS formation routes in dark and diffuse warm gas. We performed ab initio calculations to characte…
Reconciling spectroscopy with dynamics in global potential energy surfaces: the case of the astrophysically relevant SiC
C. M. R. Rocha, H. Linnartz, A. J. C. Varandas
SiC is a fascinating molecule due to its unusual bonding and astrophysical importance. In this work, we report the first global potential energy surface (PES) for ground-state…
High-level ab initio quartic force fields and spectroscopic characterization of CN
C. M. R. Rocha, H. Linnartz
While it is now well established that large carbon chain species and radiative electron attachment (REA) are key ingredients triggering interstellar anion chemistry, the role playe…
Theoretical studies of carbon isotopic fractionation in reactions of C with C: dynamics, kinetics, and isotopologue equilibria
C. M. R. Rocha, H. Linnartz
Our current understanding of interstellar carbon fractionation hinges on the interpretation of astrochemical kinetic models. Yet, the various reactions included carry large uncerta…