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A new, more comprehensive model of gas-grain chemistry in hot molecular cores is presented, in which nondiffusive reaction processes on dust-grain surfaces and in ice mantles are implemented alongside traditional diffusive surface/bulk-ice…
We report the first detection in the interstellar medium of the Z-isomer of cyanomethanimine (HNCHCN), an HCN dimer proposed as precursor of adenine. We identified six transitions of Z-cyanomethanimine, along with five transitions of…
The compositions of the Solar System terrestrial bodies are fractionated from that of the Sun, where elemental depletions in the bulk rocky bodies correlate with element volatility, expressed in its 50% condensation temperature. However,…
Interstellar complex organic molecules (COMs) are commonly observed during star formation, and are proposed to form through radical chemistry in icy grain mantles. Reactions between ions and neutral molecules in ices may provide an…
Chemical processes on the surface of icy grains play an important role in the chemical evolution in molecular clouds. In particular, reactions involving non-energetic hydrogen atoms accreted from the gaseous phase have been extensively…
Our automated reaction discovery program, AutoMeKin, has been utilized to investigate the formation of glycolonitrile (HOCH$_{2}$CN) in the gas phase under the low temperatures of the interstellar medium (ISM). The feasibility of a proposed…
The first computational model of solid-phase chemistry in cometary nuclear ices is presented. An astrochemical kinetics model, MAGICKAL, is adapted to trace the chemical evolution in multiple layers of cometary ice, over a representative…
The formation and evolution of haze layers in planetary atmospheres play a critical role in shaping their chemical composition, radiative balance, and optical properties. In the outer solar system, the atmospheres of Titan and the giant…
Carbonaceous grains represent a major component of cosmic dust. In order to understand their formation pathways, they have been prepared in the laboratory by gas-phase condensation reactions such as laser pyrolysis and laser ablation. Our…
The solid-state C$_2$H$_2$ chemistry in interstellar H$_2$O-rich ice has been proposed to explain astronomically observed complex organic molecules (COMs), including ketene (CH$_2$CO), acetaldehyde (CH$_3$CHO), and ethanol (CH$_3$CH$_2$OH),…
We apply the atom-atom potentials to molecular crystals of iron (II) complexes with bulky organic ligands. The crystals under study are formed by low-spin or high-spin molecules of Fe(phen)$_{2}$(NCS)$_{2}$ (phen = 1,10-phenanthroline),…
We have investigated the thermally induced proton/deuteron exchange in mixed amorphous H$_2$O:D$_2$O ices by monitoring the change in intensity of characteristic vibrational bending modes of H$_2$O, HDO, and D$_2$O with time and as function…
In the denser and colder ($\leq$20 K) regions of the interstellar medium (ISM), near-infrared observations have revealed the presence of sub-micron sized dust grains covered by several layers of H\textsubscript{2}O-dominated ices and…
This review paper summarizes the state-of-the-art in laboratory based interstellar ice chemistry. The focus is on atom addition reactions, illustrating how water, carbon dioxide and methanol can form in the solid state at astronomically…
The thermal decomposition of n-dodecane, a component of some jet fuels, has been studied in a jet-stirred reactor at temperatures from 793 to 1093 K, for residence times between 1 and 5 s and at atmospheric pressure. Thermal decomposition…
Methanol is formed via surface reactions on icy dust grains. Methanol is also detected in the gas-phase at temperatures below its thermal desorption temperature and at levels higher than can be explained by pure gas-phase chemistry. The…
Major components of ices on interstellar grains in molecular clouds - water and carbon oxides - occur at various optical depths. This implies that selective desorption mechanisms are at work. An astrochemical model of a contracting low-mass…
The radicals HCO and CH$_3$ on carbon monoxide ice surfaces were simulated using density functional theory. Their binding energy on amorphous CO ice shows broad distributions, with approximative average values of 500 K for HCO and 200 K for…
We derive atmospheric parameters and chemical abundances in young G-, K-, and M-type stars (temperatures between 6500 and 3100 K) using infrared APOGEE-2 spectra. Atmospheric parameters were determined for 548 young stars in the Orion…
We present a comprehensive photochemistry model for exploration of the chemical composition of terrestrial exoplanet atmospheres. The photochemistry model is designed from the ground up to have the capacity to treat all types of terrestrial…