Search results for "molecular data"
showing 9 items of 9 documents
Rovibrational transitions of H 2 by collision with H + at high temperature
2017
The H+ + H2 reaction is studied by means of both exact and statistical quantum methods. Integral cross-sections for processes initiated with rotationally excited H2(v, j = 1) to produce molecular hydrogen in its rotational ground state are reported up to a value of the collision energy of 3 eV. Rate constants for state-to-state transitions between different H2 rovibrational states are calculated up to 3000 K. Special emphasis is made on ortho/para conversion processes in which the parity j of the H2(j) states changes.
Context-Aware Visual Exploration of Molecular Databases
2006
Facilitating the visual exploration of scientific data has\ud received increasing attention in the past decade or so. Especially\ud in life science related application areas the amount\ud of available data has grown at a breath taking pace. In this\ud paper we describe an approach that allows for visual inspection\ud of large collections of molecular compounds. In\ud contrast to classical visualizations of such spaces we incorporate\ud a specific focus of analysis, for example the outcome\ud of a biological experiment such as high throughout\ud screening results. The presented method uses this experimental\ud data to select molecular fragments of the underlying\ud molecules that have intere…
The Zoo of emission lines in the spectrum of Cir X-1 observed by XMM-Newton
2007
We present the preliminary analysis of a 10 ks XMM-Newton EPIC/pn observation of Cir X-1 immediately after the zero phase. The continuum emission is modeled using a blackbody component partially absorbed by neutral matter probably located around the binary system. We detect a forest of emission lines associated to highly ionized ions.
Virtual atomic and molecular data centre
2010
The Virtual Atomic and Molecular Data Centre (VAMDC, http://www.vamdc.eu) is a European Union funded collaboration between groups involved in the generation, evaluation, and use of atomic and molecular data. VAMDC aims to build a secure, documented, flexible and interoperable e-science environment-based interface to existing atomic and molecular data. The project will cover establishing the core consortium, the development and deployment of the infrastructure and the development of interfaces to the existing atomic and molecular databases. It will also provide a forum for training potential users and dissemination of expertise worldwide. This review describes the scope of the VAMDC project;…
Laboratory measurements and astronomical search for the HSO radical
2016
[Context] Despite the fact that many sulfur-bearing molecules, ranging from simple diatomic species up to astronomical complex molecules, have been detected in the interstellar medium, the sulfur chemistry in space is largely unknown and a depletion in the abundance of S-containing species has been observed in the cold, dense interstellar medium. The chemical form of the missing sulfur has yet to be identified.
THE HYPERFINE STRUCTURE of the ROTATIONAL SPECTRUM of HDO and ITS EXTENSION to the THz REGION: ACCURATE REST FREQUENCIES and SPECTROSCOPIC PARAMETERS…
2015
The rotational spectrum of the mono-deuterated isotopologue of water, HD16O, has been investigated in the millimeter- and submillimeter-wave frequency regions, up to 1.6 THz. The Lamb-dip technique has been exploited to obtain sub-Doppler resolution and to resolve the hyperfine (hf) structure due to the deuterium and hydrogen nuclei, thus enabling the accurate determination of the corresponding hf parameters. Their experimental determination has been supported by high-level quantum-chemical calculations. The Lamb-dip measurements have been supplemented by Doppler-limited measurements (weak high-J and high-frequency transitions) in order to extend the predictive capability of the available s…
Rare isotopic species of hydrogen sulfide: the rotational spectrum of H236S
2014
The rotational spectrum of the 36 S-bearing isotopologue of hydrogen sulfide (H2S) has been investigated for the first time in the 167 GHz−1.6 THz frequency range, thus providing an accurate and reliable set of spectroscopic parameters. The experimental investigation was backed up by state-of-the-art quantum-chemical calculations, which also allowed us to demonstrate the incorrectness of the previously reported spectroscopic constants. The present results are of suitable accuracy to attempt the astrophysical detection of the isotopic species under consideration. Finally, reliable predictions for the spectroscopic constants of other rare isotopologues of H2S, namely the mono- and bi-deuterat…
Zeeman effect in sulfur monoxide: A tool to probe magnetic fields in star forming regions
2017
[Context] Magnetic fields play a fundamental role in star formation processes and the best method to evaluate their intensity is to measure the Zeeman effect of atomic and molecular lines. However, a direct measurement of the Zeeman spectral pattern from interstellar molecular species is challenging due to the high sensitivity and high spectral resolution required. So far, the Zeeman effect has been detected unambiguously in star forming regions for very few non-masing species, such as OH and CN.
H-He collision-induced satellite in the Lyman alpha profile of DBA white dwarf stars
2020
The spectra of helium-dominated white dwarf stars with hydrogen in their atmosphere present a distinctive broad feature centered around 1160~\AA\/ in the blue wing of the Lyman-$\alpha$ line. It is extremely apparent in WD 1425+540 recently observed with HST COS. With new theoretical line profiles based on ab initio atomic interaction potentials we show that this feature is a signature of a collision-induced satellite due to an asymptotically forbidden transition. This quasi-molecular spectral satellite is crucial to understanding the asymmetrical shape of Lyman-$\alpha$ seen in this and other white dwarf spectra. Our previous work predicting this absorption feature was limited by molecular…