Physical Chemistry Databases

EMSL Gaussian Basis Sets

Developed by the Pacific Northwest Laboratory. Shows databases of computational chemistry environment basis.

Fundamental Physical Constants from NIST

Explains the values of fundamental physical constants.


Records kinetic rate constants and parameters for reactions.

JPL Molecular Spectroscopy

Database collection of programs relating to the fitting of spectra and spectral line files for a large number of molecules.

Materials Thermochemistry (Middlesex, UK)

Offers thermodynamic consulting and data assessment services for companies working on commercial and industrial materials.

National Institute of Standards and Technology WebBook

Compiles discussions of thermochemical data and reaction thermochemistry notes.

NIST Physical Reference Data

Pools in information relating to fundamental physical constants, atomic spectra; and data involving X-Ray and Gamma-Rays, ionization, radiation, and nuclear physics.

Quantum Chemistry Literature DataBase

Compiles MO calculations being published on major scientific journals. Some features require membership.

Surface Tension Data

Explains tension values for common test liquids on surface energy analysis.

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