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Found 121 result(s)
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The World Wide Molecular Matrix (WWMM) is an electronic repository for unpublished chemical data.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 (http://www.budapestopenaccessinitiative.org/read).
Subject(s)
- Natural Sciences
- Physics
- Optics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
- Optics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
- Particles, Nuclei and Fields
- Nuclear and Elementary Particle Physics, Quantum Mechanics, Relativity, Fields
- Astrophysics and Astronomy
- Astrophysics and Astronomy
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- institutional
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This site provides up-to-date public access to Robert L. Kurucz data and programs: Vita and bibliography, papers, atoms, molecules, linelists, opacities, grids of model atmospheres, sun, stars, programs, CD-ROMs.
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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.
Subject(s)
- Natural Sciences
- Physics
- Optics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
- Optics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
- Particles, Nuclei and Fields
- Nuclear and Elementary Particle Physics, Quantum Mechanics, Relativity, Fields
- Astrophysics and Astronomy
- Astrophysics and Astronomy
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<<<!!!<<< 2019-12-03: The repository is no longer available >>>!!!>>>
Please use https://www.cfa.harvard.edu/amp/ampdata/kurucz23/sekur.html
The atomic line data used in this database are taken from Bob Kurucz' CD-ROM 23 of spectroscopic line calculations. The database contains all lines of the file "gfall.dat" with the following items for each line: Wavelength; loggf; element code; lower level: energy, J, configuration; upper level: energy, J, configuration; gamma r; gamma s; gamma w; reference code.
CD-ROM 23 has all the atomic line data with good wavelengths in one large file and in one file for each species. The big file is also divided into 10 nm and 100 nm sections for convenience. Also given are hyperfine line lists for neutral Sc, V, Mn, and Co that were produced by splitting all the energy levels for which laboratory data are available (only a small fraction).
Subject(s)
- Natural Sciences
- Physics
- Optics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
- Optics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
- Particles, Nuclei and Fields
- Nuclear and Elementary Particle Physics, Quantum Mechanics, Relativity, Fields
- Astrophysics and Astronomy
- Astrophysics and Astronomy
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- disciplinary
- institutional
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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.
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VAMDC aims to be an interoperable e-infrastructure that provides the international research community with access to a broad range of atomic and molecular (A&M) data compiled within a set of A&M databases accessible through the provision of this portal and of user software. Furthermore VAMDC aims to provide A&M data providers and compilers with a large dissemination platform for their work.
VAMDC infrastructure was established to provide a service to a wide international research community and has been developed in conjunction with consultations and advice from the A&M user community.
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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.
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Morph·D·Base has been developed to serve scientific research and education. It provides a platform for storing the detailed documentation of all material, methods, procedures, and concepts applied, together with the specific parameters, values, techniques, and instruments used during morphological data production. In other words, it's purpose is to provide a publicly available resource for recording and documenting morphological metadata. Moreover, it is also a repository for different types of media files that can be uploaded in order to serve as support and empirical substantiation of the results of morphological investigations.
Our long-term perspective with Morph·D·Base is to provide an instrument that will enable a highly formalized and standardized way of generating morphological descriptions using a morphological ontology that will be based on the web ontology language (OWL - http://www.w3.org/TR/owl-features/). This, however, represents a project that is still in development.
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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.
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The Cologne Database for Molecular Spectroscopy, CDMS, was founded 1998 to provide in its catalog section line lists of mostly molecular species which are or may be observed in various astronomical sources (usually) by radio astronomical means.
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<<<!!!<<< The repository is no longer available. 2018-08-29: no more access to GAPHYOR >>>!!!>>>
Important note:
The database was no longer feeded with data or updated in the years 2005-2007. The financial support of the project had been stopped a few yers ahead that time.
The maintainance of the IT system couldn't be ensured anymore and system was shutdown in 2015.
Please see the other databases in the field.
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SCRIPDB is a chemical structure database designed to make patent metadata accessible. We index public-domain chemical information contained in U.S. patents, and provide the full patent text, reactions, and relationships described within any individual patent, as well as the original CDX, MOL, and TIFF files.
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An open resource for intermolecular interactions
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Chempound is a new generation repository architecture based on RDF, semantic dictionaries and linked data. It has been developed to hold any type of chemical object expressible in CML and is exemplified by crystallographic experiments and computational chemistry calculations. In both examples, the repository can hold >50k entries which can be searched by SPARQL endpoints and pre-indexing of key fields. The Chempound architecture is general and adaptable to other fields of data-rich science.
The Chempound software is hosted at http://bitbucket.org/chempound and is available under the Apache License, Version 2.0
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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.
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ChemSpider is a free chemical structure database providing fast access to over 58 million structures, properties and associated information. By integrating and linking compounds from more than 400 data sources, ChemSpider enables researchers to discover the most comprehensive view of freely available chemical data from a single online search. It is owned by the Royal Society of Chemistry.
ChemSpider builds on the collected sources by adding additional properties, related information and links back to original data sources. ChemSpider offers text and structure searching to find compounds of interest and provides unique services to improve this data by curation and annotation and to integrate it with users’ applications.
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<<<!!!<<< the repository is offline >>>!!!>>>
More information see: https://dknet.org/about/NURSA_Archive
All NURSA-biocurated transcriptomic datasets have been preserved for data mining in SPP through an enhanced and expanded version of Transcriptomine named Ominer. To access these datasets, dkNET provides users with the information of 527 transcriptomic datasets that contain data related to nuclear receptors and nuclear receptor coregulators in the NURSA Datasets table view and redirects users to the current SPP dataset page. Once users find the specific dataset of research interest, users can download the dataset by clicking DOI and then clicking the Download Dataset button at the Signaling Pathways Project webpage. See https://www.re3data.org/repository/r3d100013650
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The ZINC Database contains commercially available compounds for structure based virtual screening. It currently has compounds that can simply be purchased. It is provided in ready-to-dock, 3D formats with molecules represented in biologically relevant forms. It is available in subsets for general screening as well as target-, chemotype- and vendor-focused subsets. ZINC is free for everyone to use and download at the website zinc.docking.org.
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Pathway Commons is a convenient point of access to biological pathway information collected from public pathway databases. Information is sourced from public pathway databases and is readily searched, visualized, and downloaded. The data is freely available under the license terms of each contributing database.
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Established in 1965, the CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing the results of over one million x-ray and neutron diffraction analyses this unique database of accurate 3D structures has become an essential resource to scientists around the world. The CSD records bibliographic, chemical and crystallographic information for:organic molecules, metal-organic compounds whose 3D structures have been determined using X-ray diffraction, neutron diffraction. The CSD records results of: single crystal studies, powder diffraction studies which yield 3D atomic coordinate data for at least all non-H atoms. In some cases the CCDC is unable to obtain coordinates, and incomplete entries are archived to the CSD.
The CSD includes crystal structure data arising from: publications in the open literature and Private Communications to the CSD (via direct data deposition).
The CSD contains directly deposited data that are not available anywhere else, known as CSD Communications.
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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.
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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.
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The research data repository of the RUB Research Department Plasmas with Complex Interactions provides access to the data associated with the scientific publications of the PIs.
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<<<!!!<<<This repository is no longer available>>>!!!>>>
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This handbook is designed to provide a selection of the most important and frequently used atomic spectroscopic data in an easily accessible format. The compilation includes data for the neutral and singly-ionized atoms of all elements hydrogen through einsteinium (Z = 1-99).
- Current projects
- EOSC FAIR-IMPACT
- re3data COREF
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To the extent possible under law,
re3data.org
has waived all copyright and related or neighboring rights to
the database entries of re3data.org.
-
Except where otherwise noted, content on this site is licensed under a
Creative Commons Attribution 4.0 International License
.
- Cite this service: re3data.org - Registry of Research Data Repositories. https://doi.org/10.17616/R3D last accessed: 2025-02-12
