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Ionic behaviors, including ion distributions and hydration characteristics at solid-liquid interfaces, are important research interests in many important applications, such as electric double-layer capacitors and water lubrication. Here, we…
We used the Plateau de Bure Interferometer to search for $\lambda$3mm absorption lines of HOC+ from local diffuse and translucent clouds occulting compact extragalactic mm-wave continuum sources. We detected HOC+ in three directions with…
The energy landscape of helium-nitrogen mixtures is explored by ab initio evolutionary searches, which predicted several stable helium-nitrogen compounds in the pressure range from 25 to 100 GPa. In particular, the monoclinic structure of…
Hydrogen bonding to chloride ions has been frequently discussed over the past 5 decades. Still, the possible role of such secondary intermolecular bonding interactions in hydrogen bonded networks has not been investigated in any detail.…
We have carried out a study of the chemical abundances of $^1$H, $^4$He, $^{12}$C, $^{13}$C, $^{14}$N, $^{15}$N, $^{16}$O, $^{17}$O, $^{20}$Ne and $^{22}$Ne in symbiotic stars (SSs) by means of a population synthesis code. We find that the…
The ionization dynamics of helium droplets in a wide size range from 220 to 10^6 He atoms irradiated with intense femtosecond extreme ultraviolet (XUV) pulses of 10^9 {\div} 10^{12} W/cm2 power density is investigated in detail by…
We have carried out extensive density functional calculations for series of sodium clusters $Na$$_{N}$ ranging from $N$=10 to 147 and have obtained $\approx$ 13000 distinct isomers. We unravel a number of striking features of the growth…
Rotationally resolved infrared spectra are reported for halogen atom - HF free radical complexes formed in helium nanodroplets. An effusive pyrolysis source is used to dope helium droplets with Cl, Br and I atoms, formed by thermal…
Through molecular dynamics simulations considering thermal vibration of surface atoms, ionic behaviors in concentrated NaCl solutions confined between discretely charged silicon surfaces have been investigated. The electric double layer…
Chemical abundances in the X-ray halos (also known as the intracluster medium, ICM) of clusters and groups of galaxies can be measured via prominent emission line features in their X-ray spectra. Elemental abundances are footprints of…
Ultraviolet spectra of stars recorded by orbiting observatories since the 1970's have revealed absorption features produced by atoms in their favored ionization stages in the neutral ISM of our Galaxy. Most elements show abundances relative…
Utilizing the high stability of calcium and rare earth hydrides, CaFeAsF1-xHx (x = 0.0-1.0) and SmFeAsO1-xHx (x = 0.0-0.47) have been first synthesized using high pressure to form hydrogen-substituted 1111 type iron-arsenide…
Using first-principles calculations, we perform a search for high-capacity hydrogen storage media based on individually dispersed calcium atoms on doped or defective carbon nanotubes. We find that up to six H2 molecules can bind to a Ca…
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$_2$) = $17.64 \pm…
Large ammonia clusters represent a model system of ices which are omnipresent throughout the space. The interaction of ammonia ices with other hydrogen-boding molecules such as methanol or water and their behavior upon an ionization are…
From UV spectra of the bright quasar PHL 1811 recorded by FUSE and the E140M configuration on STIS, we have determined the abundances of various atomic species in a Lyman limit system at z = 0.0809 with log N(H I) = 17.98. Considerably more…
We report the first detection of chloronium, H$_2$Cl$^+$, in the interstellar medium, using the HIFI instrument aboard the \emph{Herschel} Space Observatory. The $2_{12}-1_{01}$ lines of ortho-H$_2^{35}$Cl$^+$ and ortho-H$_2^{37}$Cl$^+$ are…
The stationary nonempirical simulations of Na+(H2O)n clusters with n in a range of 28 to 51 carried out at the density functional level with a hybrid B3LYP functional and the Born-Oppenheimer molecular dynamics modeling of the size selected…
Near ultraviolet observations of OH+ and OH in diffuse molecular clouds reveal a preference for different environments. The dominant absorption feature in OH+ arises from a main component seen in CH+ (that with the highest CH+/CH column…
HCl, a 'textbook' example of a polar covalent molecule, is a well-known compound of hydrogen and chlorine. Inspired by the discovery of unexpected stable stoichiometries of sodium chlorides, we performed systematic searches for all stable…