Thermal desorption of interstellar ices: A review on the controlling parameters and their implications from snowlines to chemical complexity
The evolution of star-forming regions and their thermal balance are strongly influenced by
their chemical composition, which, in turn, is determined by the physicochemical processes …
their chemical composition, which, in turn, is determined by the physicochemical processes …
Computational surface modelling of ices and minerals of interstellar interest—insights and perspectives
The universe is molecularly rich, comprising from the simplest molecule (H2) to complex
organic molecules (eg, CH3CHO and NH2CHO), some of which of biological relevance (eg …
organic molecules (eg, CH3CHO and NH2CHO), some of which of biological relevance (eg …
Quantum mechanical simulations of the radical–radical chemistry on icy surfaces
The formation of the interstellar complex organic molecules (iCOMs) is a hot topic in
astrochemistry. One of the main paradigms trying to reproduce the observations postulates …
astrochemistry. One of the main paradigms trying to reproduce the observations postulates …
Formation of complex organic molecules on interstellar CO ices? Insights from computational chemistry simulations
The carbon (3 P) atom is a reactive species that, according to laboratory experiments and
theoretical calculations, condensates with interstellar ice components. This fact is of …
theoretical calculations, condensates with interstellar ice components. This fact is of …
Can formamide be formed on interstellar ice? An atomistic perspective
Interstellar formamide (NH2CHO) has recently attracted significant attention due to its
potential role as a molecular building block in the formation of precursor biomolecules …
potential role as a molecular building block in the formation of precursor biomolecules …
Theoretical distribution of the ammonia binding energy at interstellar icy grains: a new computational framework
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) …
evolution of the interstellar medium (ISM). Both temperature-programmed desorption (TPD) …
Modelling the radical chemistry on ice surfaces: An integrated quantum chemical and experimental approach
WMC Sameera, B Senevirathne, T Nguyen… - Frontiers in Astronomy …, 2022 - frontiersin.org
Heterogeneous radical processes on ice surfaces play a vital role in the formation of
building blocks of the biologically relevant molecules in space. Therefore, quantitative …
building blocks of the biologically relevant molecules in space. Therefore, quantitative …
Reactivity of HCO with CH3 and NH2 on Water Ice Surfaces. A Comprehensive Accurate Quantum Chemistry Study
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 …
compounds with at least six atoms in which at least one is carbon. The observations of …
Theoretical determination of binding energies of small molecules on interstellar ice surfaces
The adsorption of a series of atoms and small molecules and radicals (H, C, N, O, NH, OH,
H2O, CH3, and NH3) on hexagonal crystalline and amorphous ice clusters were obtained …
H2O, CH3, and NH3) on hexagonal crystalline and amorphous ice clusters were obtained …
Gliding on ice in search of accurate and cost-effective computational methods for astrochemistry on grains: the puzzling case of the HCN isomerization
The isomerization of hydrogen cyanide to hydrogen isocyanide on icy grain surfaces is
investigated by an accurate composite method (jun-Cheap) rooted in the coupled cluster …
investigated by an accurate composite method (jun-Cheap) rooted in the coupled cluster …