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Found 113 result(s)
The World Wide Molecular Matrix (WWMM) is an electronic repository for unpublished chemical data. WWMM is an open collection of information of small molecules. The "Matrix" in WWMM is influenced by William Gibson's vision of a cyberinfrastructure where all knowledge is accessible. The WWMM is an experiment to see how far this can be taken for chemical compounds. Although much of the information for a given compound has been Openly published, very little is available in Open electronic collections. The WWMM is aimed at catalysing this approach for chemistry and the current collection is made available under the Budapest Open Archive Initiative (
The Innsbruck Dissociative Electron Attachment (DEA) DataBase node holds relative cross sections for dissociative electron attachment processes of the form: AB + e– –> A– + B, where AB is a molecule. It hence supports querying by various identifiers for molecules and atoms, such as chemical names, stoichiometric formulae, InChI (-keys) and CAS registry numbers. These identifiers are searched both in products and reactants of the processes. It then returns XSAMS files describing the processes found including numeric values for the relative cross sections of the processes. Alternatively, cross sections can be exported as plain ASCII files.
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Datanator is an integrated database of genomic and biochemical data designed to help investigators find data about specific molecules and reactions in specific organisms and specific environments for meta-analyses and mechanistic models. Datanator currently includes metabolite concentrations, RNA modifications and half-lives, protein abundances and modifications, and reaction kinetics integrated from several databases and numerous publications. The Datanator website and REST API provide tools for extracting clouds of data about specific molecules and reactions in specific organisms and specific environments, as well as data about similar molecules and reactions in taxonomically similar organisms.
This facility permits selective searches of some atomic data files compiled by R. L. Kurucz (Harvard-Smithsonian Center for Astrophysics). The data provided are: - vacuum wavelength (in nm) [above 200 nm calculated using Edlen, Metrologia, Vol. 2, No. 2, 1966]- air wavelength (in nm) above 200 nm- log(gf), - E [in cm-1], j, parity, and configuration for the levels (lower, upper), - information regarding the source of the data. CD-ROM 18 contains the spectrum synthesis programs ATLAS7V, SYNTHE, SPECTRV, ROTATE, BROADEN, PLOTSYN, etc. and sample runs found in directory PROGRAMS; Atomic line data files BELLHEAVY.DAT, BELLLIGHT.DAT, GFIRONLAB.DAT, GULLIVER.DAT, NLTELINES.DAT, GFIRONQ.DAT, obsolete, merged into GFALL, found in directory LINELISTS: Molecular line data files C2AX.ASC, C2BA.ASC, C2DA.ASC, C2EA.ASC, CNAX.ASC, CNBX.ASC, COAX.ASC, COXX.ASC, H2.ASC, HYDRIDES.ASC, SIOAX.ASC, SIOEX.ASC, SIOXX.ASC, found in directory LINELISTS; and my solar flux atlas for test calculations SOLARFLUX.ASC.
PQR is an online database of molecular properties predicted from quantum mechanics with integrated capabilities for molecular visualization and data sharing. ased on the number of molecules, PQR is currently the largest open database of molecular quantum calculations. PQR features interactive high-quality rendering of molecular structures and properties on computers, tablets, and cell phones and allows to efficiently share data via digital object identifiers (DOI) and scannable QR barcodes.
Numerical database of atomic and molecular processes and particle-surface interactions. ALADDIN has formatted data on atomic structure and spectra (energy levels,wave lengths, and transition probabilities); electron and heavy particle collisions with atoms, ions, and molecules (cross sections and/or rate coefficients, including, in most cases, analytic fit to the data); sputtering of surfaces by impact of main plasma constituents and self sputtering; particle reflection from surfaces; thermophysical and thermomechanical properties of beryllium and pyrolytic graphites.
AtomDB is an atomic database useful for X-ray plasma spectral modeling. The current version of AtomDB is primarly used for modeing collisional plasmas, those where hot electrons colliding with astrophysically abundant elements and ions create X-ray emission. However, AtomDB is also useful when modeling absorption by elements and ions or even photoionized plasmas, where X-ray photons (often from a simple power-law source) interacting with elements and ions create complex spectra.
Hourly "Near-Earth" solar wind magnetic field and plasma data, energetic proton fluxes (>1 to >60 MeV), and geomagnetic and solar activity indices. OMNIWeb is part of "Space Physics Data Facility" ( ).
The Vienna Atomic Line Database (VALD) is a collection of atomic and molecular transition parameters of astronomical interest. VALD offers tools for selecting subsets of lines for typical astrophysical applications: line identification, preparing for spectroscopic observations, chemical composition and radial velocity measurements, model atmosphere calculations etc.
Chemotion-repository is a repository for the publication, re-use and archiving of research data in the domain of chemistry. It is suitable for molecules, reactions, and associated data. It stores original data in diverse file-formats including standard file types and as well as descriptions, metadata, and ontologies. The repository is open to all researchers worldwide.
STARK-B is a database of calculated widths and shifts of isolated lines of atoms and ions due to electron and ion collisions. This database is devoted to modeling and spectroscopic diagnostics of stellar atmospheres and envelopes. In addition, it is also devoted to laboratory plasmas, laser equipments and technological plasmas. So, the domain of temperatures and densities covered by the tables is wide and depends on the ionization degree of the considered ion. The temperature can vary from several thousands for neutral atoms to several hundred thousands of Kelvin for highly charged ions. The electron or ion density can vary from 1012 (case of stellar atmospheres) to several 1019cm-3 (some white dwarfs and some laboratory plasmas).
At the heart of the Plasma Data Exchange Project is LXcat (pronounced "elecscat"), an open-access website for collecting, displaying, and downloading electron and ion scattering cross sections, swarm parameters (mobility, diffusion coefficient, etc.), reaction rates, energy distribution functions, etc. and other data required for modeling low temperature plasmas. The available data bases have been contributed by members of the community and are indicated by the contributor's chosen title.
This is a compilation of approximately 923,000 allowed, intercombination and forbidden atomic transitions with wavelengths in the range from 0.5 Å to 1000 µm. It's primary intention is to allow the identification of observed atomic absorption or emission features. The wavelengths in this list are all calculated from the difference between the energy of the upper and lower level of the transition. No attempt has been made to include observed wavelengths. Most of the atomic energy level data have been taken from the Atomic Spectra Database provided by the National Institute of Standards and Technology (NIST).