Directory: Top/Science/Chemistry/Physical/Databases

Top / Science / Chemistry / Physical / Databases /

JPL Molecular Spectroscopy
Database which has an extensive library including programs for fitting spectra and spectral line files for a large number of molecules. Use requires knowledge of spectroscopy and quantum mechanics.
http://spec.jpl.nasa.gov/
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Fundamental Physical Constants from NIST
The values of the fundamental physical constants provided at this site are recommended for international use by CODATA and are the latest available.
http://physics.nist.gov/cuu/Constants/
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National Institute of Standards and Technology WebBook
Thermochemical data for over 6000 organic and small inorganic compounds. Reaction thermochemistry data for over 9000 reactions. IR spectra for over 8700 compounds. Mass spectra for over 12,000 compounds. UV/Vis spectra for over 400 compounds. Electronic
http://webbook.nist.gov/
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GRI-Mech
site at Berkeley also has selected kinetic rate constants and parameters for reactions involving the species included in their database.
http://www.me.berkeley.edu/gri_mech/data/rxns_static.html
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Naval Research Laboratory Electronic Structure Calculations Database
Band structure, total energy, density of states, and derived quantities for most Periodic elements, hydrides, carbides, nitrides, and oxides.
http://cst-www.nrl.navy.mil/database.html
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The Radiation Chemistry Data Center of the Notre Dame Radiation Laboratory
Chemical property data (such as reaction rate constants, and redox potentials,) historic bibliographic information from the RCDC bibliographic database, and recent papers in radiation chemistry and photochemistry. Also includes an on-line continuation of
http://allen.rad.nd.edu/
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NIST Physical Reference Data
Database holding information on fundamental physical constants, atomic spectra, molecular spectroscopic data, ionization data, X-Ray and Gamma-Ray data, radiation dosimetry data, nuclear physics data, and condensed matter physics data.
http://physics.nist.gov/PhysRefData/contents.html
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University of Alberta
Tables of chemical data for Fundamental Physical Constants, Relative Atomic Masses of the Chemical Elements, Molar Thermodynamic Properties of Pure Substances, Molar Thermodynamic Properties of Aqueous Solutes, Ionization Constants of Aqueous
http://www.chem.ualberta.ca/courses/plambeck/p101.new/p0040x.htm
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Surface Tension Data
Surface tension values of some common test liquids for surface energy analysis.
http://www.surface-tension.de
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EMSL Gaussian Basis Sets
Extensible Computational Chemistry Environment Basis Set Database, Version 8/01/01, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laborator
http://www.emsl.pnl.gov/forms/basisform.html
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