Found 3 datasets matching filters.
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The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of gas-phase molecules. The goals are...
Search relevance: 1.00 | Views last month: 7 | Published on: 2025-08-02 -
The data set contains the data for 20 cannabinoids and cannabinoid-related compounds computed with quantum-chemical methods. This includes the optimized geometries for the conformers and the...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02 -
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, Ca, Sr, and Ba) for...
Search relevance: 1.00 | Views last month: 0 | Published on: 2025-08-02
