Related papers: Modeling interstellar amorphous solid water grains…
In the quest to understand the formation of the building blocks of life, amorphous solid water (ASW) is one of the most widely studied molecular systems. Indeed, ASW is ubiquitous in the cold interstellar medium (ISM), where ASW-coated dust…
Surface chemistry on interstellar dust grains is recognized as a central component in astrochemical models, representing a plausible formation route for many of the observed complex molecular species. However, key parameters governing…
Stimulated by the renewed interest and recent developments in semi-empirical quantum chemical (SQC) methods for noncovalent interactions, we examine the properties of liquid water at ambient conditions by means of molecular dynamics (MD)…
The diffusion of atoms and molecules in ices covering dust grains in dense clouds in interstellar space is an important but poorly characterized step in the formation of complex molecules in space. Here we report the measurement of…
The knowledge of the binding energy of molecules on astrophysically relevant ices can help to obtain an estimate of the desorption rate, i.e. the molecules residence time on the surface. This represents an important parameter for…
The diffusion of molecules on interstellar grain surfaces is one of the most important driving forces for the molecular complexity in the interstellar medium. Due to the lack of laboratory measurements, astrochemical modeling of grain…
The interstellar medium (ISM) is all but empty. To date, more than 300 molecules have already been discovered. Because of the extremely low temperature, the gas-phase chemistry is dominated by barrierless exothermic reactions of radicals…
Amorphous solid water (ASW) is abundantly present in the interstellar medium, where it forms a mantle on interstellar dust particles and it is the precursor for cometary ices. In space, ASW acts as substrate for interstellar surface…
Isomerism in complex organic molecules provides key insights into the formation mechanisms and physical conditions of the interstellar medium (ISM). Among the C$_2$H$_5$NO isomers, only acetamide and trans-N-methylformamide (trans-NMF) have…
In the interstellar medium (ISM), the formation of complex organic molecules (COMs) is largely facilitated by surface reactions. However, in cold dark clouds, thermal desorption of COMs is inefficient because of the lack of thermal energy…
This study benchmarks the GFN family of semiempirical methods (GFN1-xTB, GFN2-xTB, GFN0-xTB, and GFN-FF) against density functional theory (DFT) for the evaluation of optimized molecular geometries and electronic properties of small organic…
The binding energies (BE) of molecules on the interstellar grains are crucial in the chemical evolution of the interstellar medium (ISM). Both temperature programmed desorption (TPD) laboratory experiments and quantum chemistry computations…
Context. Carbon monoxide (CO) is arguably the most important molecule for interstellar organic chemistry. Its binding to amorphous solid water (ASW) ice regulates both diffusion and desorption processes. Accurately characterizing the CO…
A tightly correlated star formation rate-stellar mass relation of star forming galaxies, or star-forming sequence (SFS), is a key feature in galaxy property-space that is predicted by modern galaxy formation models. We present a flexible…
Motivated by the very low diffusivity recently found in ab initio simulations of liquid water, we have studied its dependence with temperature, system size, and duration of the simulations. We use ab initio molecular dynamics (AIMD),…
A model is proposed for the formation of water ice mantles on grains in interstellar clouds. This occurs by direct accretion of monomers from the gas, be they formed by gas or surface reactions. The model predicts the existence of a…
Understanding the formation of molecules under conditions relevant to interstellar chemistry is fundamental to characterize the chemical evolution of the universe. Using reactive molecular dynamics simulations with model-based or…
(ABRIDGED) We use hydrodynamical simulations of disk galaxies to study relations between star formation and properties of the molecular interstellar medium (ISM). We implement a model for the ISM that includes low-temperature (T<10^4K)…
We introduce the star formation and Supernova (SN) feedback model of the SATIN (Simulating AGNs Through ISM with Non-Equilibrium Effects) project to simulate the evolution of the star forming multi-phase interstellar medium (ISM) of entire…
Interstellar complex organic molecules (iCOMs) can be loosely defined as chemical compounds with at least six atoms in which at least one is carbon. The observations of iCOMs in star-forming regions have shown that they contain an important…