相关论文: Methanimine as a sink in the HCN and HNC solid sta…
The ionization rate of interstellar material by cosmic rays has been a major source of controversy, with different estimates varying by three orders of magnitude. Observational constraints of this rate have all depended on analyzing the…
HCN is becoming a popular choice of molecule for studying star formation in both low- and high-mass regions and for other astrophysical sources from comets to high-redshift galaxies. However, a major and often overlooked difficulty with HCN…
Reversible reaction involving Li amide (LiNH$_{2}$) and Li imide (Li$_{2}$NH) is a potential mechanism for hydrogen storage. Recent synchrotron x-ray diffraction experiments [W. I. David et al., J. Am. Chem. Soc. 129, 1594 (2007)] suggest…
Nuclear spins are among the potential candidates prospected for quantum information technology. A recent breakthrough enabled to atomically resolve their interaction with the electron spin, the so-called hyperfine interaction, within…
The formation of complex organic molecules in the interstellar medium (ISM) is central to astrochemistry and prebiotic chemistry, as these species may act as precursors to biomolecules essential for life. Although glyceraldehyde…
The solid-state reaction C + H$_2$O $\rightarrow$ H$_2$CO was studied experimentally following the codeposition of C atoms and H$_2$O molecules at low temperatures. In spite of the reaction barrier and absence of energetic triggering, the…
The nuclear tunneling crossover temperature ($T_c$) of hydrogen transfer reactions in supported molecular-switch architectures can lie close to room temperature. This calls for the inclusion of nuclear quantum effects (NQE) in the…
This review paper summarizes the state-of-the-art in laboratory based interstellar ice chemistry. The focus is on atom addition reactions, illustrating how water, carbon dioxide and methanol can form in the solid state at astronomically…
The global commitment to achieve net-zero has led to increasing investment towards the production and usage of green hydrogen (H2).However, the massive quantity needed to match future demand will require new storage facilities. Underground…
The transition between atomic and molecular hydrogen is associated with important changes in the structure of interstellar clouds, and marks the beginning of interstellar chemistry. Because of the relatively simple networks controlling…
We present computer simulations of liquid and solid phases of condensed methane at pressures below 25 GPa, between 150 and 300 K, where no appreciable molecular dissociation occurs. We used molecular dynamics (MD) and metadynamics…
The chemical network governing interstellar sulfur has been the topic of unrelenting discussion for the past decades due to the conspicuous discrepancy between its expected and observed abundances in different interstellar environments.…
Ethanol (CH$_3$CH$_2$OH) is a relatively common molecule, often found in star forming regions. Recent studies suggest that it could be a parent molecule of several so-called interstellar complex organic molecules (iCOMs). Yet, the formation…
We have studied the fundamental process of hydrogen binding at interstitial, vacancy and grain boundary (GB) in palladium crystals using Density-Functional Theory. It showed that hydrogen prefers to occupy the octahedral interstitial site…
We report accurate quantum calculations of the sieving of Helium atoms by two-dimensional (2D) graphtriyne layers with a new interaction potential. Thermal rate constants and permeances in an ample temperature range are computed and…
We have detected new HD absorption systems at high redshifts, z_abs=2.626 and z_abs=1.777, identified in the spectra of the quasars J0812+3208 and Q1331+170, respectively. Each of these systems consists of two subsystems. The HD column…
Water is usually the main component of ice mantles, which cover the cores of dust grains in cold portions of dense interstellar clouds. When molecular hydrogen is adsorbed onto an icy mantle through physisorption, a common assumption in…
An a priori analysis of a DNS database of turbulent lean premixed methane flames is presented considering the relative effects of turbulence and LES filtering, along with a potential modelling approach for LES with finite-rate chemistry.…
Syn-glycolamide, a glycine isomer, has recently been detected in the G+0.693-0.027 molecular cloud. Investigations on its formation in the interstellar medium could offer insights into synthetic routes leading to glycine in prebiotic…
We report two detections of deuterated molecular hydrogen (HD) in QSO absorption-line systems at $z > 2$. Toward J2123-0500, we find $N$(HD) $= 13.84 \pm 0.2$ for a sub-DLA with metallicity $\simeq 0.5Z_{\odot}$ and $N$(H$_2$) = $17.64 \pm…