相关论文: Methyl mercaptan (CH3SH) as a probe for $\mu$ vari…
N-methylformamide, CH3NHCHO, may be an important molecule for interstellar pre-biotic chemistry because it contains a peptide bond. The rotational spectrum of the most stable trans conformer of CH3NHCHO is complicated by strong…
Methanol (CH$_3$OH) is found to be abundant and widespread towards the Central Molecular Zone, the inner few hundred parsecs of our Galaxy. Its origin is, however, not fully understood. It was proposed that the high cosmic ray ionisation…
A non-LTE radiative transfer treatment of cis-methyl formate (HCOOCH3) rotational lines is presented for the first time using a set of theoretical collisional rate coefficients. These coefficients have been computed in the temperature range…
The ion-molecule reactions $\text{D}_2^++\text{NH}_3$ and $\text{D}_2^++\text{ND}_3$ are studied at low collision energies ($E_{\text{coll}}$ from zero to $\sim k_\textrm{B}\cdot 50\,\text{K}$), with the $\text{D}_2^+$ ions in the ground…
Methoxymethanol (CH3OCH2OH, MM) has been identified through gas-phase signatures in both high- and low-mass star-forming regions. This molecule is expected to form upon hydrogen addition and abstraction reactions in CO-rich ice through…
The hydrogen molecule has become a test ground for quantum electrodynamical calculations in molecules. Expanding beyond studies on stable hydrogenic species to the heavier radioactive tritium-bearing molecules, we report on a measurement of…
An enhanced mechanism is proposed for the large-amplitude-motion-induced parity-violating frequency by integrating the exact quantum dynamics method with the relativistic electronic structure theory. The torsional wavefunctions and PV…
Precise spectroscopic analysis of polyatomic molecules enables many striking advances in physical chemistry and fundamental physics. We use several new high-resolution spectroscopic devices to improve our understanding of the rotational and…
We present the discovery in TMC-1 of allenyl acetylene, H2CCCHCCH, through the observation of nineteen lines with a signal-to-noise ratio ~4-15. For this species, we derived a rotational temperature of 7 +/- 1 K and a column density of (1.2…
We present the observational result of a glycine precursor, methylamine (CH$_3$NH$_2$), together with methanol (CH$_3$OH) and methanimine (CH$_2$NH) towards high-mass star-forming regions, NGC6334I, G10.47+0.03, G31.41+0.3, and W51~e1/e2…
The translational-diffusion coefficient $D_T$ and the spin-rotation contribution to the $^1$H NMR relaxation time $T_{1J}$ for methane (CH$_4$) are investigated using MD (molecular dynamics) simulations, over a wide range of densities…
We utilize observations of sub-millimeter rotational transitions of CO from a Herschel Cycle 2 open time program ("COPS", PI: J. Green) to identify previously predicted turbulent dissipation by magnetohydrodynamic (MHD) shocks in molecular…
The inelastic cross sections and rate coefficients for the rotational excitation of methanimine (CH$_2$NH) by cold H$_2$ have been determined quantum mechanically based on a new highly correlated five-dimensional potential energy surface.…
We present a strong constraint on variation of the proton-to-electron mass ratio, mu, over cosmological time scales using molecular hydrogen transitions in optical quasar spectra. Using high quality spectra of quasars Q0405-443, Q0347-383…
High-dispersion (channel width 0.015 km s^-1) laboratory spectroscopy of the torsion-rotation lines J_2 - J_1 (J = 2 - 6) in the ground torsional state (vt = 0) of the E-type methanol demonstrates multicomponent hyperfine splitting patterns…
Based on measurements with the Effelsberg 100-m telescope, a multi-line study of molecular species is presented toward the gravitational lens system PKS1830-211. Obtaining average radial velocities and performing Large Velocity Gradient…
Canonical ensemble molecular dynamics simulations of liquid methanol, modeled using a rigid-body, pair-additive potential, are used to compute static distributions and temporal correlations of tagged molecule potential energies as a means…
Methanol-water liquid mixtures have been investigated by high-energy synchrotron X-ray and neutron diffraction at low temperatures. We are thus able to report the first complete sets of both X-ray and neutron weighted total scattering…
Improving the synthetic methanol production efficiency is essential for adopting carbon-neutral methanol technologies. In the present computational fluid dynamics (CFD) study, we investigate synthetic methanol (CH$_3$OH) production in a…
The methyl groups in hexamethylbenzene C$_6$(CH$_3$)$_6$ become magnetically ordered at the molecular level below 118 K. This is also near the temperature at which the system structurally transitions from triclinic to a unique near-cubic…