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We have conducted a study combining H2O lines in two spectral regions. First, Infrared Space Observatory observations of several H2O thermal lines seen in absorption toward Sgr B2(M) at a spectral resolution of 35 kms^-1 have been analyzed.…

Astrophysics · Physics 2009-11-11 J. Cernicharo , J. R. Goicoechea , J. R. Pardo , A. Asensio Ramos

We present broad band spectra of a sample of 21 low luminosity sources in the Trapezium Cluster, with masses in the range 0.008 - 0.10 Msun (assuming an age of 1 Myr). These were selected for low extinction in most cases and are located…

Astrophysics · Physics 2009-11-06 P. W. Lucas , P. F. Roche , France Allard , Peter H. Hauschildt

Why does a microwave oven work? How does biological tissue absorb electromagnetic radiation? Astonishingly, we do not have a definite answer to these simple questions because the microscopic processes governing the absorption of…

Soft Condensed Matter · Physics 2017-12-20 P. Lunkenheimer , S. Emmert , R. Gulich , M. Köhler , M. Wolf , M. Schwab , A. Loidl

The x-ray absorption spectra of water and ice are calculated with a many-body approach for electron-hole excitations. The experimental features, including the small effects of temperature change in the liquid, are quantitatively reproduced…

Soft Condensed Matter · Physics 2015-05-14 Wei Chen , Xifan Wu , Roberto Car

Here I show that experimental and simulation data on liquid water using vibrational (infrared and Raman) and X-ray (absorption and emission) spectroscopies, as well as recent data from X-ray scattering, are fully consistent with a two-state…

Soft Condensed Matter · Physics 2019-05-09 Lars G. M. Pettersson

Understanding water deuterium fractionation is important for constraining the mechanisms of water formation in interstellar clouds. Observations of HDO and H$_2^{18}$O transitions were carried out towards the high-mass star-forming region…

We report Raman scattering and visible to near-infrared absorption spectra of solid hydrogen under static pressure up to 285 GPa at 85-140 K. We obtain pressure dependences of vibron and phonon modes in agreement with previously determined…

Materials Science · Physics 2009-11-07 Alexander F. Goncharov , Eugene Gregoryanz , Russell J. Hemley , Ho-kwang Mao

Oxygen K-edge X-ray absorption spectra of liquid water are computed based on the configurations from advanced ab initio molecular dynamics simulations, as well as an electron excitation theory from the GW method. One one hand, the molecular…

Soft Condensed Matter · Physics 2017-09-15 Zhaoru Sun , Mohan Chen , Lixin Zheng , Jianping Wang , Biswajit Santra , Huaze Shen , Limei Xu , Wei Kang , Michael L. Klein , Xifan Wu

Water is a very abundant molecule in star-forming regions. Its deuterium fractionation is an important tool for understanding its formation and evolution during the star and planet formation processes. While the HDO/H$_2$O ratio has been…

Hypothesis. Ortho and para water are the two nuclear isomers where the hydrogen protons align to give a total nuclear spin of 0 or 1.The equilibrium ratio of 3:1 is established slowly in freshly evaporated water vapour and the isomers then…

Materials Science · Physics 2022-10-31 Sruthy Poulose , M. Venkatesan , Matthias Mobius , J. M. D. Coey

We describe a new approach based on semiclassical molecular dynamics that allows to simulate infrared absorption or emission spectra of molecular systems with inclusion of anharmonic intensities. This is achieved from semiclassical power…

Chemical Physics · Physics 2018-11-12 Marco Micciarelli , Riccardo Conte , Jaime Suarez , Michele Ceotto

We present the rest-frame 200--320 \mm\ spectrum of the z=3.91 quasar \apm, obtained with Z-Spec at the Caltech Submillimeter Observatory. In addition to the \jeight\ to \jthirteen\ CO rotational transitions which dominate the CO cooling,…

The isotope effects in x-ray absorption spectra of liquid water are studied by a many-body approach within electron-hole excitation theory. The molecular structures of both light and heavy water are modeled by path-integral molecular…

Disordered Systems and Neural Networks · Physics 2020-09-29 Chunyi Zhang , Linfeng Zhang , Jianhang Xu , Fujie Tang , Biswajit Santra , Xifan Wu

We investigate the variation of the oscillation frequency of the Mg$^{2+}$ and O$^{2-}$ ions in the magnesium oxide lattice due to the interactions of the surface with water monolayers by means of Low Energy Electron Diffraction. Our key…

A tunable far-infrared laser sideband spectrometer was used to investigate a nitric oxide sample enriched in 18O between 0.99 and 4.75 THz. Regular, electric dipole transitions were recorded between 0.99 and 2.52 THz, while magnetic dipole…

Astrophysics of Galaxies · Physics 2015-04-21 Holger S. P. Müller , Kaori Kobayashi , Kazumasa Takahashi , Kazuko Tomaru , Fusakazu Matsushima

Molecular-level insight into interfacial water at buried electrode interfaces is essential in elucidating many phenomena of electrochemistry, but spectroscopic probing of the buried interfaces remains challenging. Here, using…

We conducted series of experiments on observing a Stark-type effect in superfluid $^4$He in presence of relative laminar flows of the normal and superfluid components. It is designed a measurement cell which allows us to simultaneously…

Dipolar susceptibility of interfacial water and the corresponding interface dielectric constant were calculated from numerical molecular dynamics simulations for neutral and charged states of buckminsterfullerene C$_{60}$. Dielectric…

Rotation-vibration energy levels are determined for the electronic ground state of the acetylene molecule, $^{12}$C$_2$H$_2$, using the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. 37,813 measured transitions…

We study the effects of ions on the reorientation dynamics of liquid water with polarization-resolved femtosecond mid-infared spectroscopy. We probe the anisotropy of the excitation of the O-D stretch vibration of HDO molecules in solutions…

Chemical Physics · Physics 2013-07-24 Sietse T. van der Post , Stefan Scheidelaar , Huib J. Bakker