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Found 229 result(s)

Spectral Database for Organic Compounds

SDBS

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SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory of the compounds. The six spectra are as follows, an electron impact Mass spectrum (EI-MS), a Fourier transform infrared spectrum (FT-IR), a 1H nuclear magnetic resonance (NMR) spectrum, a 13C NMR spectrum, a laser Raman spectrum, and an electron spin resonance (ESR) spectrum.

nmrXiv

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nmrXiv is an open, FAIR and consensus-driven NMR spectroscopy data repository and analysis platform. We archive raw and processed NMR data, providing support for browsing, search, analysis, and dissemination of NMR data worldwide.

MCHF/MCDHF Database

Multiconfiguration Hartree-Fock and Multiconfiguration Dirac-Hartree-Focbasek Data

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The MCHF/MCDHF database contains collections of transition data from different relativistic theories by different computational methods. For a few collections the Landé gJ factor is provided.

NIST Atomic Spectral Line Broadening Bibliographic Database

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This database contains references to publications that include numerical data, general information, comments, and reviews on atomic line broadening and shifts, and is part of the collection of the NIST Atomic Spectroscopy Data Center https://www.nist.gov/pml/quantum-measurement/atomic-spectroscopy/atomic-spectroscopy-data-center-contacts.

SOFIA

South Florida Information Access

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<<<!!!<<< This repository is no longer available. >>>!!!>>>

Handbook of Basic Atomic Spectroscopic Data

NIST Standard Reference Database 108

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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).

DrugBank

Open Data Drug & Drug Target Database

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The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. The latest release of DrugBank (version 5.1.1, released 2018-07-03) contains 11,881 drug entries including 2,526 approved small molecule drugs, 1,184 approved biotech (protein/peptide) drugs, 129 nutraceuticals and over 5,751 experimental drugs. Additionally, 5,132 non-redundant protein (i.e. drug target/enzyme/transporter/carrier) sequences are linked to these drug entries. Each DrugCard entry contains more than 200 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data.

Edmond

The Open Research Data Repository of the Max Planck Society

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Edmond is the institutional repository of the Max Planck Society for public research data. It enables Max Planck scientists to create citable scientific assets by describing, enriching, sharing, exposing, linking, publishing and archiving research data of all kinds. Further on, all objects within Edmond have a unique identifier and therefore can be clearly referenced in publications or reused in other contexts.

University of Strathclyde KnowledgeBase Datasets

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The KnowledgeBase of the University of Strathclyde includes research data from the staff and students of the university.

University of Manchester figshare

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The University selected figshare as a general purpose research data repository to enable researchers to share research data, facilitate open research practices and meet the evolving requirements of research funders and academic publishers. This is a public-facing platform for researchers to share their data and build, over time, a comprehensive representation of the research done at the University across all faculties and disciplines.

Wilfrid Laurier University Dataverse

WLU Dataverse

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The Wilfrid Laurier University Dataverse is a research data repository for our faculty, students, and staff. Files are held in a secure environment on Canadian servers.

Environmental data explorer

EDE

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<<<!!!<<< This repository is no longer available. Resource Unavailable The requested url (http://geodata.grid.unep.ch/) no longer exists, please contact info@unepgrid.ch for further information.. >>>!!!>>>

X-Ray Database

X-ray interactions with matter

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The primary interaction of low-energy x rays within matter, viz. photoabsorption and coherent scattering, have been described for photon energies outside the absorption threshold regions. These tables are based on a compilation of the available experimental measurements and theoretical calculations. For many elements there is little or no published data and in such cases it was necessary to rely on theoretical calculations and interpolations across Z. In order to improve the accuracy in the future considerably more experimental measurements are needed.

Mechanism and Catalytic Site Atlas

CSA (formerly)

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M-CSA is a database of enzyme reaction mechanisms. It provides annotation on the protein, catalytic residues, cofactors, and the reaction mechanisms of hundreds of enzymes. There are two kinds of entries in M-CSA. 'Detailed mechanism' entries are more complete and show the individual chemical steps of the mechanism as schemes with electron flow arrows. 'Catalytic Site' entries annotate the catalytic residues necessary for the reaction, but do not show the mechanism. The M-CSA (Mechanism and Catalytic Site Atlas) represents a unified resource that combines the data in both MACiE and the CSA

AMODS

Atomic Molecular and Optical Database Systems

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The repository is no longer available. <<<!!!<<< 2018-01-18: no more access to AMODS >>>!!!>>>

World Data Centre for Precipitation Chemistry

WDCPC

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This centre receives and archives precipitation chemistry data and complementary information from stations around the world. Data archived by this centre are accessible via connections with the WDCPC database. Freely available data from regional and national programmes with their own Web sites are accessible via links to these sites. The WDCPC is one of six World Data Centres in the World Meteorological Organization Global Atmosphere Watch (GAW). The focus on precipitation chemistry is described in the GAW Precipitation Chemistry Programme. Guidance on all aspects of collecting precipitation for chemical analysis is provided in the Manual for the GAW Precipitation Chemistry Programme (WMO-GAW Report No. 160).

MediaBank

MGDS MediaBank

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The MGDS MediaBank contains high quality images, illustrations, animations and video clips that are organized into galleries. Media can be sorted by category, and keyword and map-based search options are provided. Each item in the MediaBank is accompanied by metadata that provides access into our cruise catalog and data repository.

Swedish National Data Service

SND

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Swedish National Data Service (SND) is a research data infrastructure designed to assist researchers in preserving, maintaining, and disseminating research data in a secure and sustainable manner. The SND Search function makes it easy to find, use, and cite research data from a variety of scientific disciplines. Together with an extensive network of almost 40 Swedish higher education institutions and other research organisations, SND works for increased access to research data, nationally as well as internationally.

The Cambridge Structural Database

CSD

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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.

SPECTR-W3

Atomic Database Spectr-W3 for Plasma Spectroscopy and other Applications

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The information accumulated in the SPECTR-W3 ADB contains over 450,000 records and includes factual experimental and theoretical data on ionization potentials, energy levels, wavelengths, radiation transition probabilities, oscillator strengths, and (optionally) the parameters of analytical approximations of electron-collisional cross-sections and rates for atoms and ions. Those data were extracted from publications in physical journals, proceedings of the related conferences, special-purpose publications on atomic data, and provided directly by authors. The information is supplied with references to the original sources and comments, elucidating the details of experimental measurements or calculations, where necessary and available. To date, the SPECTR-W3 ADB is the largest factual database in the world containing the information on spectral properties of multicharged ions.

UWA Profiles and Research Repository

formerly: RDO

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The UWA Profiles and Research Repository contains research publications, research datasets, theses, equipment, grants and activities created by researchers and postgraduates affiliated with the University of Western Australia (UWA). It is managed by the University Library and provides access to research datasets held at UWA. The information about each dataset has been provided by UWA research groups. Dataset metadata is harvested into Research Data Australia (RDA) https://researchdata.edu.au/.

ZivaHub

Open Data UCT

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The University of Cape Town (UCT) uses Figshare for institutions for their data repository, which was launched in 2017 and is called ZivaHub: Open Data UCT. ZivaHub serves principal investigators at the University of Cape Town who are in need of a repository to store and openly disseminate the data that support their published research findings. The repository service is provided in terms of the UCT Research Data Management Policy. It provides open access to supplementary research data files and links to their respective scholarly publications (e.g. theses, dissertations, papers et al) hosted on other platforms, such as OpenUCT.

British Geological Survey

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The British Geological Survey (BGS), the world’s oldest national geological survey, has over 400 datasets including environmental monitoring data, digital databases, physical collections (borehole core, rocks, minerals and fossils), records and archives.

Portal to Los Alamos Opacity Codes

TOPS opacities

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Portal to Los Alamos Opacity Codes is your gateway to the set of opacity codes developed at the Los Alamos National Laboratory. The TOPS code has been developed to calculate multigroup opacities that can be written in a variety of formats for use in radiation transport codes. Arbitrary mixture of any elements for which OPLIB data exist is supported. Opacities of special mixtures that are important in astrophysical applications are also available as a separate option (Astrophysical opacities).

Russian-Ukrainian Geomagnetic Data Center

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The Analytical Geomagnetic Data Center of the Trans-Regional INTERMAGNET Segment is operated by the Geophysical Center of the Russian Academy of Sciences (GC RAS). Geomagnetic data are transmitted from observatories and stations located in Russia and near-abroad countries. The Center also provides access to spaceborne data products. The MAGNUS hardware-software system underlies the operation of the Center. Its particular feature is the automated real-time recognition of artificial (anthropogenic) disturbances in incoming data. Being based on fuzzy logic approach, this quality control service facilitates the preparation of the definitive magnetograms from preliminary records carried out by data experts manually. The MAGNUS system also performs on-the-fly multi-criteria estimation of geomagnetic activity using several indicators and provides online tools for modeling electromagnetic parameters in the near-Earth space. The collected geomagnetic data are stored using relational database management system. The geomagnetic database is intended for storing both 1-minute and 1-second data. The results of anthropogenic and natural disturbance recognition are also stored in the database.