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  1. Welcome to the NIST WebBook

    NIST site provides chemical and physical property data on over 40,000 compounds.
    NIST1
    entropy1
    chemical structure1
    enthalpy1
    boiling point1
    heat capacity1
    vapor pressure1
    chemical data1
    thermochemistry1
    InChI1
    mass spectrum1
    heat of formation1
    retention index1
    thermochemical data1
    thermodynamic data1
    InChIKey0
    ionization potential0
    IR spectrum0
    Vis spectrum0

    webbook.nist.gov - 2009-03-10

  2. CCCBDB Computational Chemistry Comparison and Benchmark Database

    The Computational Chemistry Comparison and Benchmark Database (CCCBDB) contains links to experimental and computational thermochemical data for a selected set ...
    inversion2
    entropy1
    Computational chemistry1
    ab initio1
    enthalpy1
    quadrupole1
    thermochemistry1
    vibrational frequencies1
    dipole moment1
    heat of formation1
    internal rotation1
    polarizability1
    atomic charges0
    bond angles0
    bond length0
    molecular geometries0
    vibrational scaling factor0

    www.accyflor.com - 2009-04-02

energy4 process control2 enthalpy1 entropy1 thermochemistry1 programming4 metallurgy1 evolution2 chemical3 heat capacity1

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