3 datasets found
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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
NIST Potential Energy Surface Database of Group II Dimer Molecules
National Institute of Standards and Technology —
This database provides critical atomic and molecular data needed in order to evaluate the feasibility of using laser cooled and trapped Group II atomic species (Mg,... -
Federal
SQLite database with the results of quantum-chemical calculations for 20 cannabinoids and cannabinoid-related compounds
National Institute of Standards and Technology —
The data set contains the data for 20 cannabinoids and cannabinoid-related compounds computed with quantum-chemical methods. This includes the optimized geometries...
3 datasets found