相关论文: The Icosahedral (H$_2)_{13}$ Supermolecule

We report the results of initial FUSE observations of molecular hydrogen (H2) in translucent clouds. These clouds have greater optical depth than any of the diffuse clouds previously observed for far-UV H2 absorption, and provide new…

The hydrogen-methane compound (H_2)_4CH_4---or for short H4M---is one of the most promising hydrogen-storage materials. This van der Waals compound is extremely rich in molecular hydrogen: 33.3 mass%, not including the hydrogen bound in…

The process of atomic-to-molecular (HI-to-H$_2$) gas conversion is fundamental for molecular-cloud formation and star formation. 21 cm observations of the star-forming region W43 revealed extremely high HI column densities, of 120-180…

We have used the IRAM 30-m and FCRAO 14-m telescopes to observe the molecular clumps associated with 12 ultracompact (UC) HII regions in the J=6-5, 8-7 and 13-12 rotational transitions of methyl-acetylene (CH3C2H). Under the assumption of…

We have systematically searched for the ground state structures of bismuth hydrides based on evolutionary algorithm method and particle swarm optimization algorithm method. Given only rich-hydrogen region, except for BiH$_{3}$, other…

We present a CSO and BIMA molecular line survey of the dense, quiescent molecular environment ahead of HH2. The molecular gas is cold, 13 K, and moderately dense, 3x10^5 cm^-3. A total of 14 species has been detected (including different…

Hydrogen is rarely observed as ligand in hypervalent species, however, we find that high-pressure hydrogenation may stabilise hypervalent hydrogen-rich materials. Focussing on ternary silicon hydrides via lithium doping, we find anions…

Numerical simulations have explored the possibility to form molecular clouds through either a quasi-static, self-gravitating mechanism or the collision of gas streams or lower-density clouds. They also quantitatively predict the…

Hydrogen-rich materials are the most promising candidates for high-temperature conventional superconductors under ambient pressure. Multinary hydrides have abundant structural configurations and are more promising to find high-temperature…

Hydrogen-rich compounds hold promise as high-temperature superconductors under high pressures. Recent theoretical hydride structures on achieving high-pressure superconductivity are composed mainly of H2 fragments. Through a systematic…

The discovery of ambient superconductivity would mark an epochal breakthrough long-awaited for over a century, potentially ushering in unprecedented scientific and technological advancements. The recent findings on high-temperature…

We numerically investigate the metastable equilibrium structure of deep supercooled and glassy water under pressure, covering the range of densities corresponding to the experimentally produced high-density and very-high-density amorphous…

The hydrogen molecule contains the basic ingredients to understand the chemical bond, i.e, a pair of electrons. We show a step to understand The Correspondence Principle for chaotic system in the Chemical World. The hydrogen molecule is…

The recent discovery of H3S and LaH10 superconductors with record high superconducting transition temperatures, Tc, at high pressure, has fueled the search for room-temperature superconductivity in the compressed superhydrides. Here we…

Hydrogen sulfide (H2S) is a prototype molecular system and a sister molecule of water. The phase diagram of solid H2S at high pressures remains largely unexplored arising from the challenges in dealing with the looser S-H bond and larger…

There is a robust polyatomic chemistry in diffuse, partially-molecular interstellar gas that is readily accessible in absorption at radio/mm/sub-mm wavelengths. Accurate column densities are derived owing to the weak internal excitation, so…

We use 3-dimensional numerical simulations of self-gravitating compressible turbulent gas in combination with Lagrangian tracer particles to investigate the mixing process of molecular hydrogen (H2) in interstellar clouds. Tracer particles…

We combine experimental and theoretical approaches to explore excited rotational states of molecules embedded in helium nanodroplets using CS$_2$ and I$_2$ as examples. Laser-induced nonadiabatic molecular alignment is employed to measure…

When hydrogen molecules collide with a surface, they can either scatter away from the surface or stick to the surface through a dissociation reaction which leaves two H atoms adsorbed on the surface. The relative probabilities of these two…

Accurate enthalpies of formation are reported for known and potential astromolecules using high level ab initio quantum chemical calculations. A total of 130 molecules comprising of 31 isomeric groups and 24 cyanide/isocyanide pairs with…