Astrochemistry / Molecular Astrophysics
Chemistry of the interstellar and circumstellar environments
Simple and complex organic molecules (COMs) of pre-biotic interests exploring the origin of life.
Molecular excitation and radiative transfer studies of reactive hydride ions
Astrochemical modeling in UV-dominated regions
Astrochemical gas-grain modeling in star-forming regions
Quantum chemical study, molecular spectroscopy, and reaction kinetics
Equilibrium temperature and density profiles for an isobaric model of NGC 7027 as a function of the distance from the star starting from the illuminated face into the depth of the cloud.
Effect of chemical pumping: Ro-vibrational population diagram of HeH+ (υ, J).
Effect of chemical pumping: HeH+ line surface brightness variation with wavelength.
Modeled density and temperature profile in the dense part of V1716 Sco ejecta.
Modeled abundance (with respect to total hydrogen nuclei) profile in the dense part of V1716 Sco ejecta.
Modeled surface brightness of some of the potential pure rotational and ro-vibrational transitions of HeH+ in V1716 Sco.
Modeled HeH+ (υ, J) population diagram for QU Vul, RS Oph, and V1716 Sco.
This diagram summarizes chemical pathways for forming ethanolamine on dust grain surfaces. The gray area highlights viable ice-phase pathways identified by our model. The diagram emphasizes only ice-phase ethanolamine formation. Destruction by major ions and UV photons (including cosmic rays) is not shown, though included in the models.
Binding Energy values of all 75 d-H positions for the nine different ASW [H2O]_20 clusters. The corresponding values are presented in Table A.2 (available on Zenodo).
Comparison of the binding energies computed in our work (blue stars) and those based on the available literature and frequently used databases.
The optimized structures of the investigated C6H6O isomeric group. Except for propargyl ether, all the isomers are cyclic. (Ghosh, Sil, et al. 2022)
Parameter space of the abundances of CO, CN, CS, and HNC for Av = 1, 2, 3, 4, and 5 mag for the diffuse cloud model. The contours are highlighted around the observed abundance limit toward the cloud with v_LSR = −17 km/s, including the inferred uncertainties.
Parameter space of the temperature for AV = 1, 2, and 3 mag for the diffuse cloud model.
Chemical evolution of the abundances of CO, CN, CS, and HNC for the diffuse cloud model.
Abundance profiles of H, H+, H2, H2+, H3+, e−, N and temperature profile for the diffuse cloud model.
Chemical evolution of the abundances of neutral P-bearing species for the diffuse cloud model.
Abundance profiles of H, H+, H2, H2+, H3+, e−, N and temperature profile for the PDR model.
Chemical evolution of the abundances of neutral P-bearing species for the PDR model.
Parameter space for the intrinsic line surface brightness (SB) of the 1−0 and 2−1 transitions of ArH+, the 971 GHz/308 μm transition of OH+, and the 2.12 μm transition of H2. The contours are highlighted in the range of observational limits.
Comparison of computed and experimental infrared spectra for pure water as well as water with HCOOH and NH3 as impurities.
Schematic potential energy surfaces of alcohol formation from aldehyde and ketone for various hydrogenation reactions (representing the IEFPCM correction for the influence of ice) indicating stable species and transition states.