Related papers: Hydrogen transfer reactions of interstellar Comple…
Collisions between hot hydrogen atoms and CO$_2$ play a central role in energy transfer and atmospheric escape in CO$_2$-rich planetary atmospheres. We present quantum mechanical $j_z$-conserving coupled-states calculations of…
Glycolaldehyde (HOCH$_2$CHO) and ethylene glycol ((CH$_2$OH)$_2$) are two complex organic molecules detected in the hot cores and hot corinos of several star-forming regions. The ethylene glycol/glycolaldehyde abundance ratio seems to show…
We model the intensity of emission lines from the CO molecule, based on hydrodynamic simulations of spirals, mergers, and high-redshift galaxies with very high resolutions (3pc and 10^3 Msun) and detailed models for the phase-space…
CO2 ice is one of the most abundant components in ice-coated interstellar ices besides H2O and CO, but the most favorable path to CO2 ice is still unclear. Molecular dynamics calculations on the ultraviolet photodissociation of different…
Recent studies of neutral gas-phase reactions characterized by barriers show that certain complex forming processes involving light atoms are enhanced by quantum mechanical tunneling at low temperature. Here, we performed kinetic…
The recent discovery of terrestrial-type organic species such as methyl formate and dimethyl ether in the cold interstellar gas has proved that the formation of organic matter in the Galaxy begins at a much earlier stage of star formation…
We report the presence of a systematic excess in the molecular hydrogen fraction ($f_{\mathrm{H2}} = 2 \, n_{\mathrm{H2}}/n_{\mathrm{H}}$) in studies that use a reduced chemistry network to calculate $f_{\mathrm{H2}}$ of gas with a non-zero…
Astrochemical models of interstellar clouds, the sites of stars, and planet formation require information about spin-state chemistry to allow quantitative comparison with spectroscopic observations. In particular, it is important to know if…
Carbonyl sulfide (OCS) is an abundant sulfur (S)-bearing species in the interstellar medium. It is present not only in the gas phase, but also on interstellar grains as a solid; therefore, OCS very likely undergoes physicochemical processes…
Tunneling of electrons through rotor-stator anthracene aldehyde molecular interfaces is studied with a combined ab initio and model approach. Molecular electronic structure calculated from first principles is utilized to model different…
The formation of methanol (CH3OH) on icy grain mantles during the star formation cycle is mainly associated with the CO freeze-out stage. Yet there are reasons to believe that CH3OH also can form at an earlier period of interstellar ice…
We study the evolution of molecular hydrogen on the grain surfaces and in the gas phase using both the rate equation (which tracks the average number of molecules) and the master equation (which tracks the expectation values of molecules).…
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…
Radiative association and photodissociation rates are calculated for quadrupole transitions of H2. A complete set of bound and unbound states are included in a self-consistent master equation to obtain steady-state concentrations for a…
We present the results of chemical modeling of complex organic molecules (COMs) under conditions typical for prestellar cores. We utilize an advanced gas-grain astrochemical model with updated gas-phase chemistry, with a multilayer approach…
We present semi-analytic solutions for atomic transition rates in hydrogenic atoms induced by scalar, pseudoscalar, vector, axial-vector, and tensor interactions. Our results agree with quantum electrodynamics predictions to $\sim…
We describe the atomic-level motions in caesium hydroxide monohydrate (CsOH$\cdot$H$_2$O), which is a chemical compound containing layers of water and hydroxide ions. At this composition, each oxygen is involved in three hydrogen bonds…
1-propanol (CH3CH2CH2OH) is a three carbon-bearing representative of primary linear alcohols that may have its origin in the cold dark cores in interstellar space. To test this, we investigated in the laboratory whether 1-propanol ice can…
The tunneling reaction H$_2$ + D$^-$ $\rightarrow$ HD + H$^-$ was studied in a recent experimental work at low temperatures (10, 19, and 23~K) by Endres {\it et al.}, Phys. Rev. A {\bf 95}, 022706 (2017). An upper limit of the rate…
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…