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Found 5 result(s)

Atomic and Molecular Data Research Center

AMDRC

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>>> --- !!!! Attention: Obviously the institute does not exist any more. The links do not work anymore. !!!! --- <<< Our center is devoted to: Collection, compilation, evaluation, and dissemination of scientific information required for fusion research, and Investigation of problems arising in the course of development of fusion research. There are atomic and molecular (A & M) numerical databases and bibliographic databases on plasma physics and atomic physics.

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.

ProteomeXchange

PX

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The ProteomeXchange consortium has been set up to provide a single point of submission of MS proteomics data to the main existing proteomics repositories, and to encourage the data exchange between them for optimal data dissemination. Current members accepting submissions are: The PRIDE PRoteomics IDEntifications database at the European Bioinformatics Institute focusing mainly on shotgun mass spectrometry proteomics data PeptideAtlas/PASSEL focusing on SRM/MRM datasets.

IDEADB

Innsbruck Dissociative Electron Attachment Database

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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.

CCC Data Base

Convergent Close-Coupling Data Base

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The CCC method yields accurate excitation and ionisation cross sections for atomic and ionic targets which are well-modelled by one or two valence electrons above a Hartree-Fock core. Inner core ionisation can be a major contributor to the total ionisation cross section. Such contributions can be estimated using various forms of Born-based approximations.