Related papers: Structures and Properties of Known and Postulated …
Starless molecular cores are natural laboratories for interstellar molecular chemistry research. The chemistry of ices in such objects was investigated with a three-phase (gas, surface, and mantle) model. We considered the center part of…
Accurate enthalpies of formation are reported for known and potential astromolecules using high level ab initio quantum chemical calculations. A total of 130 molecules comprising of 31 isomeric groups and 24 cyanide/isocyanide pairs with…
Non-linear behavior in interstellar chemical models has been recognized for 25 years now. Different mechanisms account for the possibility of multiple fixed-points at steady state, characterized by the ionization degree of the gas. Chemical…
Ice is ubiquitous in the interstellar medium. We model the formation of the main constituents of interstellar ices, including H2O, CO2 , CO, and CH3 OH. We strive to understand what physical or chemical parameters influence the final…
The recent observation of complex organic molecules (COMs) in interstellar ices by the James Webb Space Telescope (JWST), along with previous gas-phase detections, underscores the importance of grain surface and ice mantle chemistry in the…
The quest for the origin of the chemical elements, which we find in our body, in our planet (Earth), in our star (Sun), or in our galaxy (Milky Way) could only be resolved with a thorough understanding of the nuclear physics properties of…
Cassini discovered a plethora of neutral and ionised molecules in Titan's ionosphere including, surprisingly, anions and negatively charged molecules extending up to 13,800 u/q. In this letter we forward model the Cassini electron…
Chemistry plays an important role in the interstellar medium (ISM), regulating heating and cooling of the gas, and determining abundances of molecular species that trace gas properties in observations. Although solving the time-dependent…
Potassium and sodium ions are crucial for many physiological processes in living systems and play different roles when interacting with proteins and enzymes. Intracellular concentration of potassium is always maintained higher than that of…
In the interstellar medium carbon exists in the form of two stable isotopes $^{12}$C and $^{13}$C and their ratio is a good indicator of nucleosynthesis in galaxies. However, chemical fractionation can potentially significantly alter this…
Among the silicon bearing species discovered in the interstellar medium, SiS and SiO stand out as key tracers due to their distinct chemistry and abundances in interstellar and circumstellar environments. Our objective is to enhance the…
We present in this paper the main structural features and enthalpy details for the energy profiles of the title reactions, both for the exothermic (forward) path to NH$_{3}$ formation and for the endothermic (reverse) reaction to…
The increasing number of observations towards different environments in the Milky Way, as well as theoretical and experimental works, are improving our knowledge of the astrochemical processes in the interstellar medium (ISM). In this…
Chemical networks used for models of interstellar clouds contain many reactions, some of them with poorly determined rate coefficients and/or products. In this work, we report a method for improving the predictions of molecular abundances…
Chemical reaction systems are dynamical systems that arise in chemical engineering and systems biology. In this work, we consider the question of whether the minimal (in a precise sense) multistationary chemical reaction networks, which we…
Astrochemical models are essential to bridge the gap between the timescales of reactions, experiments, and observations. Ice chemistry in these models experiences a large computational complexity as a result of the many parameters required…
We report an investigation of X-ray induced desorption of neutrals, cations and anions from CO ice. The desorption of neutral CO, by far the most abundant, is quantified and discussed within the context of its application to astrochemistry.…
Straight-chain (normal-propyl cyanide, n - C3H7CN) and branched-chain (iso-propyl cyanide, i - C3H7CN) alkyl cyanides are recently identified in the massive star-forming regions (Sgr B2(N) and Orion). These branched-chain molecules indicate…
Photoionizing radiation and stellar winds from massive stars deposit energy and momentum into the interstellar medium (ISM). They might disperse the local ISM, change its turbulent multi-phase structure, and even regulate star formation.…
A basic model for the formation of non-equilibrium rotational energy distributions is described for reactive, homo-polar diatomic molecules and ions in the interstellar medium. Kinetic models were constructed to calculate the rotational…