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JPL Molecular Spectroscopy (Popularity:  )
http://spec.jpl.nasa.gov/
Database which has an extensive library including programs for fitting spectra and spectral line files for a large number of ...
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Fundamental Physical Constants from NIST (Popularity: )
http://physics.nist.gov/cuu/Constants/
The values of the fundamental physical constants provided at this site are recommended for international use by CODATA and are ...
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National Institute of Standards and Technology WebBook (Popularity: )
http://webbook.nist.gov/
Thermochemical data for over 6000 organic and small inorganic compounds. Reaction thermochemistry data for over 9000 reactions. IR spectra for ...
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GRI-Mech (Popularity: )
http://www.me.berkeley.edu/gri_mech/data/rxns_static.html
site at Berkeley also has selected kinetic rate constants and parameters for reactions involving the species included in their database.
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Naval Research Laboratory Electronic Structure Calculations Database (Popularity: )
http://cst-www.nrl.navy.mil/database.html
Band structure, total energy, density of states, and derived quantities for most Periodic elements, hydrides, carbides, nitrides, and oxides.
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The Radiation Chemistry Data Center of the Notre Dame Radiation Laboratory (Popularity: )
http://allen.rad.nd.edu/
Chemical property data (such as reaction rate constants, and redox potentials,) historic bibliographic information from the RCDC bibliographic database, and ...
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NIST Physical Reference Data (Popularity: )
http://physics.nist.gov/PhysRefData/contents.html
Database holding information on fundamental physical constants, atomic spectra, molecular spectroscopic data, ionization data, X-Ray and Gamma-Ray data, radiation dosimetry ...
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University of Alberta (Popularity: )
http://www.chem.ualberta.ca/courses/plambeck/p101.new/p0040x.htm
Tables of chemical data for Fundamental Physical Constants, Relative Atomic Masses of the Chemical Elements, Molar Thermodynamic Properties of Pure ...
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Surface Tension Data (Popularity: )
http://www.surface-tension.de
Surface tension values of some common test liquids for surface energy analysis.
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EMSL Gaussian Basis Sets (Popularity: )
http://www.emsl.pnl.gov/forms/basisform.html
Extensible Computational Chemistry Environment Basis Set Database, Version 8/01/01, as developed and distributed by the Molecular Science Computing Facility, Environmental ...
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Quantum Chemistry Literature DataBase (Popularity: )
http://qcldb2.ims.ac.jp/
A literature database on ab initio MO calculations published in major journals of Chemistry, Physics and Computer Science since 1978.
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