Single page of several hundred chemicals, sorted by name, with associated dielectric constant.
http://www.asiinstr.com/technical/Dielectric%20Constants.htm
A collection of information obtained from ab initio electronic structure calculations, as well as related experimental data and literature citations. Java database interface.
http://www.emsl.pnl.gov/proj/crdb/
Extensible Computational Chemistry Environment Basis Set Database, Version 8/01/01, as developed and distributed by the Molecular Science Computing Facility, Environmental and Mole...
http://www.emsl.pnl.gov/forms/basisform.html
The values of the fundamental physical constants provided at this site are recommended for international use by CODATA and are the latest available.
http://physics.nist.gov/cuu/Constants/
site at Berkeley also has selected kinetic rate constants and parameters for reactions involving the species included in their database.
http://www.me.berkeley.edu/gri_mech/data/rxns_static.html
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 q...
http://spec.jpl.nasa.gov/
Provides thermodynamic databases, data assessment, and consulting services to companies working with a variety of commercial and industrial materials. Information on training cours...
http://www.npl.co.uk/npl/cmmt/mtdata/
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...
http://webbook.nist.gov/
Band structure, total energy, density of states, and derived quantities for most Periodic elements, hydrides, carbides, nitrides, and oxides.
http://cst-www.nrl.navy.mil/database.html
Energy-consistent pseudopotentials of the Stuttgart/Bonn group (semi-local pseudopotentials adjusted to reproduce atomic valence-energy spectra) for every element in the periodical...
http://www.theochem.uni-stuttgart.de/pseudopotentiale/
A literature database on ab initio MO calculations published in major journals of Chemistry, Physics and Computer Science since 1978.
http://qcldb2.ims.ac.jp/
Source of thermodynamic data useful in handling phase transitions. The data are given as a function of temperature and pressure for single components and mixtures. Also links to B...
http://www.questconsult.com/~jrm/thermot.html
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