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

In this paper we study the oxygen chemistry in the C-rich circumstellar shells of IRC+10216. The recent discoveries of oxygen bearing species (water, hydroxyl radical and formaldehyde) toward this source challenge our current understanding…

We report the detection of H2 in a zabs= 0.0963 Damped Lyman-{\alpha} (DLA) system towards zem = 0.4716 QSO J1619+3342. This DLA has log N(H I) = 20.55 (0.10), 18.13 < log N(H2) < 18.40, [S/H] = -0.62 (0.13), [Fe/S] = -1.00 (0.17) and the…

Applying pressure around megabar is indispensable in the synthesis of high-temperature superconducting hydrides, such as SH$_3$ and LaH$_{10}$. Stabilizing the high-pressure phase of hydride around ambient condition is a severe challenge.…

Following long-standing predictions associated with hydrogen, high-temperature superconductivity has recently been observed in several hydride-based materials. Nevertheless, these high-$T_c$ phases only exist at extremely high pressures,…

Formed at an early stage of gas-phase ion-molecule chemistry, hydrides -- molecules containing a heavy element covalently bonded to one or more hydrogen atoms -- play an important role in interstellar chemistry as they are the progenitors…

Helium nanodroplets are doped with cesium and molecular hydrogen and subsequently ionized by electrons. Mass spectra reveal H$_x$Cs$^{+}$ ions that contain as many as 130 hydrogen atoms. Two features in the spectra are striking: First, the…

We describe the atomic-level motions in caesium hydroxide monohydrate (CsOH$\cdot$H$_2$O), which is a chemical compound containing layers of water and hydroxide ions. At this composition, each oxygen is involved in three hydrogen bonds…

The lanthanum-hydrogen system has attracted significant attention following the report of superconductivity in LaH10 at near-ambient temperatures and high pressures. Here, we present the results of our single-crystal X-ray diffraction…

Radical recombination has been proposed to lead to the formation of complex organic molecules (COMs) in CO-rich ices in the early stages of star formation. These COMs can then undergo hydrogen addition and abstraction reactions leading to a…

(Abridged). In this paper, we present results from a large set of numerical simulations that demonstrate that H2 formation occurs rapidly in turbulent gas. Starting with purely atomic hydrogen, large quantities of molecular hydrogen can be…

The encapsulation of hydrogen within fullerene/fullerane cages offers a promising avenue for studying high pressure hydrogen dynamics. Through ab initio molecular dynamics simulations, we investigate the behavior of a system consisting of…

Far Ultraviolet Spectroscopic Explorer (FUSE) data is used to investigate the molecular hydrogen (H_2) content of intermediate-velocity clouds (IVCs) in the lower halo of the Milky Way. We analyze interstellar absorption towards 56 (mostly…

The sheer interstellar abundance of helium makes any bound molecules or complexes containing it of potential interest for astrophysical observation. This work utilizes high-level and trusted quantum chemical techniques to predict the…

Nb2SnC is a member of the large family of lamellar materials that crystallize in the hexagonal structure with space group P63/mmc which are isomorphs with Cr2AlC, also named H-phase. In spite of the great number of compounds which belong to…

Much of the baryonic matter in the Universe is in the form of H2 which includes most of the gas in galactic and extragalactic interstellar clouds. Molecular hydrogen plays a significant role in establishing the thermal balance in many…

We use {\it ab initio} molecular dynamics simulations to study a sample of liquid silica containing 3.84 wt.% H$_2$O.We find that, for temperatures of 3000 K and 3500 K,water is almost exclusively dissolved as hydroxyl groups, the silica…

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…

Are there indications that individual H2O molecules in liquid water can loose their bent structure, i.e. that the protons give up their rigid angular correlation and behave largely uncorrelated, similar to electrons in the ground-state of…

The envelopes of Red Supergiants (RSGs) have a unique chemical environment not seen in other types of stars. They foster an oxygen-rich synthesis but are tempered by sporadic and chaotic mass loss, which distorts the envelope and creates…

We have studied molecular hydrogen emission in a sample of 21 YSOs using spectra obtained with the Infrared Space Observatory (ISO). H2 emission was detected in 12 sources and can be explained as arising in either a shock, caused by the…