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1CCCBDB Computational Chemistry Comparison and Benchmark Database
The Computational Chemistry Comparison and Benchmark Database (CCCBDB) contains links to experimental and computational thermochemical data for a selected set of gas-phase atoms and molecules as well as tools for comparing experimental and computational ideal-gas thermochemical properties.
13 years ago by @drmatusek
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NIST
chemistry
cluster
coupled
database
density
fock
functional
hartree
perturbation
quantum
theory
NISTchemistryclustercoupleddatabasedensityfockfunctionalhartreeperturbationquantumtheory
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