相关论文: Rotational excitation of interstellar benzonitrile…

A recent modeling study of brightness ratios for CO rotational transitions in gas typical of the diffuse ISM by Liszt found the role of H collisions to be more important than previously assumed. This conclusion was based on quantum…

We investigate energetic type Ic supernovae as production sites for Li6 and Be in the early stages of the Milky Way. Recent observations have revealed that some very metal-poor stars with [Fe/H]<-2.5 possess unexpectedly high abundances of…

The interaction potential energy surface (PES) of He-H2 is of great importance for quantum chemistry, as the simplest test case for interactions between a molecule and a closed-shell atom. It is also required for a detailed understanding of…

We compute ground and excited state properties of small helium clusters 4He_N containing a single benzene impurity molecule. Ground-state structures and energies are obtained for N=1,2,3,14 from importance-sampled, rigid-body diffusion…

Aromatic structures are fundamental for key biological molecules such as RNA and metabolites and the abundances of aromatic molecules on young planets are therefore of high interest. Recent detections of benzonitrile and other aromatic…

We present the first fully ab initio calculations of collision-induced broadening and shift of spectral lines in antiprotonic helium ($\bar{p}$He$^{+}$) perturbed by atomic helium. To overcome critical limitations of previous studies, we…

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…

New quantum scattering calculations for rotational deexcitation transitions of CO induced by H collisions using two CO-H potential energy surfaces (PESs) from Shepler et al. (2007) are reported. State-to-state rate coefficients are computed…

We report the first full-dimensional potential energy surface (PES) and quantum mechanical close-coupling calculations for scattering of SiO due to H$_2$. The full-dimensional interaction potential surface was computed using the explicitly…

Rotational excitation of isotopologues of HCN and HNC by thermal electron-impact is studied using the molecular {\bf R}-matrix method combined with the adiabatic-nuclei-rotation (ANR) approximation. Rate coefficients are obtained for…

Small organic molecules are thought to provide building blocks for the formation of complex interstellar polycyclic aromatic hydrocarbons (PAHs). However, the underlying chemical mechanisms remain unclear, particularly concerning the role…

The hydronium cation plays a crucial role in interstellar oxygen and water chemistry. While its spectroscopy was extensively investigated earlier, the collisional excitation of H$_3$O$^+$ is not well studied yet. In this work we present…

Two different ab initio potential energy surfaces are employed to investigate the efficiency of the rotational excitation channels for the polar molecular ion HeH$^+$ interacting with He atoms. We further use them to investigate the quantum…

We present Spitzer Space Telescope archival mid-infrared (mid-IR) spectroscopy of a sample of eleven planetary nebulae (PNe). The observations, acquired with the Spitzer Infrared Spectrograph (IRS), cover the spectral range 5.2-14.5 {\mu}m…

Benzonitrile ($c$-C$_6$H$_5$CN), a polar proxy for benzene ($c$-C$_6$H$_6$}), has the potential to serve as a highly convenient radio probe for aromatic chemistry, provided this ring can be found in other astronomical sources beyond the…

We report new observations of molecular anions with the Yebes 40m and IRAM 30m telescopes toward the cold dense clouds TMC-1 CP, Lupus-1A, L1527, L483, L1495B, and L1544. We detected for the first time C3N- and C5N- in Lupus-1A and C4H- and…

Using state-of-the-art ab initio interaction-induced dipole and potential-energy surfaces for hydrogen-helium (H2-He) pairs, we compute the rototranslational collision-induced absorption coefficient at 40-400 K for frequencies covering…

The detection of CF$^+$ in interstellar clouds potentially allows astronomers to infer the elemental fluorine abundance and the ionization fraction in ultraviolet-illuminated molecular gas. Because local thermodynamic equilibrium (LTE)…

Theoretical rotational quenching cross sections and rate coefficients of ortho- and para-H$_2$O due to collisions with He atoms are presented. The complete angular momentum close-coupling approach as well as the coupled-states approximation…

We investigate the rotational properties of molecular hydrogen and its isotopes physisorbed on the surfaces of graphene and hexagonal boron nitride ($h$-BN), grown on Ni(111), Ru(0001), and Rh(111), using rotational excitation spectroscopy…