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National Institute of Standards and Technology WebBook
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http://webbook.nist.gov/
Thermochemical data for over 6000 organic and small inorganic compounds. Reaction thermochemistry data for over 9000 reactions. IR spectra for ...
Quantum Chemistry Literature DataBase
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http://qcldb2.ims.ac.jp/
A literature database on ab initio MO calculations published in major journals of Chemistry, Physics and Computer Science since 1978.
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