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Federal
NIST Computational Chemistry Comparison and Benchmark Database - SRD 101
National Institute of Standards and Technology —
The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of gas-... -
Federal
Ames Quantum Chemistry
National Aeronautics and Space Administration —
Ames Quantum Chemistry Dataset collects electronic structure, reaction kinetics, and dynamics data calculated at Ames Research Center. This includes potential energy...