return to home page Computational Chemistry Comparison and Benchmark DataBase Release 21 (August 2020) Standard Reference Database 101 National Institute of Standards and Technology
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Compare electric quadrupole moments

So far we have experimental quadrupoles for only 82 molecules.

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Going to the group selection page allows the selection of molecules with certain chemical groups, such as C=O bonds or NH2 groups. A list of species that match the group criteria is returned and one or more may be selected.

Rules for chemical formula

Species in the CCCBDB