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Band structure, total energy, density of states, and derived quantities for most Periodic elements, hydrides, carbides, nitrides, and oxides.
Sponsored Links:
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http://cst-www.nrl.navy.mil/database.html
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| Description: |
Science, Chemistry, Physical, Databases - 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. |
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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 ...
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 ...
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 ...
GRI-Mech (Popularity: ): site at Berkeley also has selected kinetic rate constants and parameters for reactions involving the species included in their database.
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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 ...
University of Alberta (Popularity: ): Tables of chemical data for Fundamental Physical Constants, Relative Atomic Masses of the Chemical Elements, Molar Thermodynamic Properties of Pure ...
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 ...
Quantum Chemistry Literature DataBase (Popularity: ): A literature database on ab initio MO calculations published in major journals of Chemistry, Physics and Computer Science since 1978.
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Popular Sites |
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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 ...
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 ...
JPL Molecular Spectroscopy (Popularity: ): Database which has an extensive library including programs for fitting spectra and spectral line files for a large number of ...
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 ...
Quantum Chemistry Literature DataBase (Popularity: ): A literature database on ab initio MO calculations published in major journals of Chemistry, Physics and Computer Science since 1978.
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