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Spektren-Datenbanken

Spektroskopische Datenbanken und Software.




Spektroskopische Datenbanken liefern Vergleichsspektren bzw. Spektrendaten im Zusammenhang mit der spektroskopischen Methode oder auch für bestimmte Anwendungsfelder bzw. Stoffgruppen. Ein Spektrum ist hierbei das mittels Spektroskopie mit einem Spektrometer aufgenommene, meist grafische Protokoll der gemessenen Intensitätsverteilung.

Entsprechend gibt es Simulationsprogramme und Software für die Spektrenauswertung. Viele der genannten Angebote erfordern eine Registrierung oder sind kostenpflichtig.

Die nachfolgende Liste zeigt online verfügbare spektroskopische Datenbanken für alle Bereiche und Methoden in der Spektroskopie. Weitere Spektrendaten bzw. Spektral-Datenbanken sind unter den jeweiligen spektroskopischen Methoden zu finden.

Weitere Informationen zum Thema in englischer Sprache finden Sie unter dem Stichwort spectral databases.



Inhalt, Gliederung


Detailinformationen
Software und Programme



Detailinformationen


Additional Absorbance Spectra
By CAS number, chemical name or chemical symbol. EPA - [e]

AEDC Calculated Spectra
THe database was established as a means of archiving and dissemination of spectra and spectroscopic data of species of interest to the pollution monitoring and gas diagnostics community. EPA - [e]

AEDC Measured Spectra
The database was established as a means of archiving and dissemination of spectra and spectroscopic data of species of interest to the pollution monitoring and gas diagnostics community. EPA - [e]

Atomic Spectra Database
Standard Reference Database #78. The spectroscopic data may be selected and displayed according to wavelengths or energy levels. NIST - [e]

Atomic Spectral Line Broadening Bibliographic Database
... contains references to publications that include numerical data, general information, comments, and reviews on atomic line broadening and shifts. NIST (USA) [e]. NIST - [e]

Atomic Spectral Line Database
Kurucz Atomic Line Database. Universität Hannover - [e]

Atomic Spectroscopy Databases
... contains critically evaluated NIST data for radiative transitions and energy levels in atoms and atomic ions. NIST - [e]

Atomic Transition Probability Bibliographic Database
... contains references to publications that include numerical data, comments, and reviews on atomic transition probabilities (oscillator strengths, line strengths, or radiative lifetimes). NIST - [e]

BioMagResBank - BMRB
A Repository for Data from NMR Spectroscopy on Proteins, Peptides, and Nucleic Acids. University of Wisconsin - [e]

CHIANTI
An Atomic Database for Spectroscopic Diagnostics of Astrophysical Plasmas - [e]

Cologne Database for Molecular Spectroscopy
The files in the Entries section contain predictions for atoms and molecules of astrophysical and atmospheric interest as well as some documentation on which data have been used for the predictions. CDMS - [e]

ComSpec3D
... stands for Computed Spectral Data 3D-Visualization and is an online service for the calculation and visualization of Infrared and Raman spectra and their corresponding normal modes - [e]

Cosmic Ice Laboratory
Infrared Spectral Database. The spectra are used to identify products of chemical reactions in ices found in the Solar System and the interstellar medium. NASA - [e]

Diatomic Spectral Database
These tables represent the first part of a series of critical reviews on the microwave spectra of molecules. NIST - [e]

Drug Standards Infrared Spectral Library
Infrared Spectral Library of Controlled and Non-Controlled Drug Standards Using Internal Reflection Spectroscopy - [e]

ECOSTRESS Spectral Library
A compilation of almost 2000 spectra of natural and man made materials. - [e]

EPA - TTN EMC - Spectral Database
This database was established as a means of archiving and dissemination of spectra and spectroscopic data of species of interest to the pollution monitoring and gas diagnostics community. EPA - [e]

EPA Reference Absorbance Spectra
The spectra listed here were created from the interferograms in the EPA Reference Spectra Interferogram section - [e]

EPA Reference Spectra Interferograms
Listed below are the interferograms from which the EPA Reference Absorbance Spectra were created - [e]

FDM Reference Spectra Databases
Infrared, Mass, NIR and Raman spectra, and search software, for your laboratory, library or office - [e]

Fluorescent spectra
Spektraldatenbanken der Universität von Arizona, USA - [e]

FTIRsearch.com
Die Datenbank stellt hochwertige FT-IR- und Raman-Spektrenbibliotheken zur Verfügung - [e]

GC-EIMS of Partially Methylated Alditol Acetates
CCRC Spectral Databases - [e]

GEISA spectroscopic database
Management and Study of Atmospheric Spectroscopic Information - [e]

Hydrocarbon Spectral Data
Two types of tables are presented for each molecular species. The first tables contain the derived molecular constants for each isotopic form which has been studied, and the table following these constant tables contains the observed microwave spectral transition frequencies for all isotopic forms and vibrational states for which data are available.. NIST - [e]

Ice analogs database
This database contains the infrared spectra of laboratory analogs of interstellar ices - [e]

IR-Spektren in der Gasphase
Infrarot-Spektren von Gasen. Ansyco Sammlung

Mass spectral databases
Simple search of mass spectral databases - [e]

METLIN
Datenbank mit Massenspektren von Metaboliten (neutrale oder freie Säuren). Scripps - [e]

Microwaves - Molecular Spectral Databases
Each of the databases covers primarily the microwave region with some data available for the radio frequency region. NIST - [e]

Mineralien
RRUFF Projekt: Website mit einer integrierten Datenbank mit Raman-Spektren von Mineralien - [e]

Mineralien
Handbuch der Ramanspektren von Mineralien mit angeschlossener Datenbank - [e]

MOGADOC
Molecular Gasphase Documentation - [e]

Molecular Microwave Spectral Databases
Three databases of diatomic, triatomic, and hydrocarbon molecules. NIST - [e]

Molecular Spectral Databases - References Search
The search covers many types of molecules, including diatomics, triatomics, and hydrocarbons. NIST - [e]

mslib - Mass Spectrometry Database Committee
The committee was set up to coordinate the generation of reliable mass spectra of new drugs and metabolite standards, and to make these available to the profession on a timely basis - [e]

NIST Chemistry WebBook
NIST Standard Reference Database Number 69 - [e]

NMR Spektren
Datenbank: Nmrdb.org - [e]

Nmrshiftdb2
… is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra - [e]

Northwest-Infrared
Vapor phase infrared spectral library - [e]

Optical Properties Spectra
. OMLC - [e]

Organische Verbindungen
Spectral Database for Organic Compounds, SDBS - [e]

Organische Verbindungen
Spektrendatenbank für organische Verbindungen, SDBS - [e]

Photochemistry Database
Science-softCon UV/Vis Spectra Data Base - [e]

pH-spectra Database
Theoprax-Research - [e]

Polymer Science Learning Center Spectral Database
PSLC Spectral Database - [e]

Raman Spectra Database of Minerals and Inorganic Materials
Raman Spektren, Röntgendiffraktion und chemische Daten von Mineralien, RRUFF Sample Data - [e]

Raman Spectroscopic Library of Natural and Synthetic Pigments
Fifty-six pigments have yielded high quality spectra and these have been arranged here, by colour, into a spectroscopic library for reference purposes. UCL - [e]

S.T. Japan-Europe
Umfangreiche Sammlungen von Spektrenbibliotheken (ATR-FTIR, Transmission, Raman und NIR)

SDBS
Integrated Spectral Data Base System for Organic Compounds. AIST - [e]

SpecInfo on the Internet
eBook. Wiley - [e]

Spectroscopic Databases
NMR Databases; MS Databases; UV-Vis & IR Databases. ACD Labs - [e]

Spectroscopic Tools

Spektroskopie online
Online Tools für die Spektroskopie. University of Potsdam

THz Spectral Database
. NIST - [e]

Triatomic Spectral Database
. NIST - [e]

USGS Digital Spectral Library
Spectra of minerals, mixtures, artificial, liquids and volatiles and vegetation, each with documentation - [e]

X-ray Photoelectron Spectroscopy Database
The NIST X-ray Photoelectron Spectroscopy (XPS) Database gives easy access to the energies of many photoelectron and Auger-electron spectral lines - [e]

Xyloglucan Oligosaccharide NMR Database
CCRC Spectral Databases - [e]



Software und Programme


Spektren-Software 'KnowItAll'
With the Academic Edition of KnowItAll, you can have it all and know it all for free - draw structures, perform IR and Raman functional group analysis, and generate high-quality reports. Bio-Rad - [e]

 


Aktualisiert am 01.11.2018.



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