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Quantum Chemistry Literature DataBase |
Popularity:  Hit: 721 | Visit: 61 |
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JPL Molecular Spectroscopy (Popularity: ): 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.
Fundamental Physical Constants from NIST (Popularity: ): The values of the fundamental physical constants provided at this site are recommended for international use by CODATA and are the latest available.
National Institute of Standards and Technology WebBook (Popularity: ): 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 ...
GRI-Mech (Popularity: ): site at Berkeley also has selected kinetic rate constants and parameters for reactions involving the species included in their database.
Naval Research Laboratory Electronic Structure Calculations Database (Popularity: ): Band structure, total energy, density of states, and derived quantities for most Periodic elements, hydrides, carbides, nitrides, and oxides.
NIST Physical Reference Data (Popularity: ): 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.
Surface Tension Data (Popularity: ): Surface tension values of some common test liquids for surface energy analysis.
EMSL Gaussian Basis Sets (Popularity: ): 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 ...
Chemical Physics Preprint Database (Popularity: ): A fully automated electronic archive and distribution server for the international theoretical chemistry community.
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