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Density-functional-theory calculations for the adsorption of molecular nitrogen on ruthenium surface are reported. It is found that nitrogen molecule is adsorbed while standing perpendicular to the triangular surface of ruthenium. The…
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…
Current gas phase models do not account for the abundances of HNCO isomers detected in various environments, suggesting a formation in icy grain mantles. We attempted to study a formation channel of HNCO and its possible isomers by…
We present a theoretical investigation of CN and HCN molecule formation in dense interstellar clouds. We study the gas-phase CN and HCN production efficiencies from the outer photon-dominated regions (PDRs) into the opaque cosmic-ray…
Molecular nitrogen is one of the key species in the chemistry of interstellar clouds and protoplanetary disks and the partitioning of nitrogen between N and N2 controls the formation of more complex prebiotic nitrogen-containing species.…
The interstellar medium is known to be chemically complex. Organic molecules with up to 11 atoms have been detected in the interstellar medium, and are believed to be formed on the ices around dust grains. The ices can be released into the…
We present a theory that is able to account quantitatively for the surface and interfacial tensions of different electrolyte solutions. It is found that near the interface, ions can be separated into two classes: the kosmotropes and the…
We determine potentials of the mean force for interactions of amino acids with four common surfaces of ZnO in aqueous solutions. The method involves all-atom molecular dynamics simulations combined with the umbrella sampling technique. The…
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…
After hydrogen, oxygen, and carbon, nitrogen is one of the most chemically active species in the interstellar medium (ISM). Nitrogen bearing molecules have great importance as they are actively involved in the formation of biomolecules.…
(Abridged) We aim to enlarge the number of known hot corinos and carry out a first comparative study with hot cores. The ultimate goal is to understand whether complex organic molecules form in the gas phase or on grain surfaces, and what…
The geometrical structures of singlet or triplet NCH3 molecules adsorbing on Cu(110) surface with presence of Cu adatoms have been determined by first-principle calculation method. The two distinguishable structures match the patterns of…
Cyanopolyynes, a family of nitrogen containing carbon chains, are common in the interstellar medium and possibly form the backbone of species relevant to prebiotic chemistry. Following their gas phase formation, they are expected to freeze…
Interstellar grain mantles present in dense interstellar clouds are in constant exchange with the gas phase via accretion and desorption mechanisms such as UV, X-ray photodesorption, cosmic ray induced sputtering, grain thermal…
A new interstellar molecule, CH$_3$NCO (methyl isocyanate), has been detected using the 12 m telescope of the Arizona Radio Observatory (ARO). CH$_3$NCO was identified in spectra covering 48 GHz (68-116 GHz) in the 3 mm segment of a…
Aims: To investigate the chemical relations between complex organics based on their spatial distributions and excitation conditions in the low-mass young stellar objects IRAS 16293-2422 A and B. Methods: Interferometric observations with…
The study of complex nitrogen (N)-bearing molecules is essential for probing the physical and chemical evolution of star-forming regions. In this paper, we present the identification of rotational emission lines from several complex…
We measured the binding energy of N$_2$, CO, O$_2$, CH$_4$, and CO$_2$ on non-porous (compact) amorphous solid water (np-ASW), of N$_2$ and CO on porous amorphous solid water (p-ASW), and of NH$_3$ on crystalline water ice. We were able to…
In this work we investigate the effects of the environment on the X-ray photoelectron spectra of hydrogen chloride and the chloride ions adsorbed on ice surfaces, as well as of chloride ions in water droplets. In our approach, we combine a…
The occurrence of complex organic molecules (COMs) in the gas phase at low temperature in the dense phases of the ISM suggests that a non-thermal desorption mechanism is at work because otherwise, COMs should condense within a short…