Ab initio calculations are computational methods used to calculate the electronic structure and properties of atoms, molecules, and materials from first principles, without using empirical parameters.
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4-hydroxy-3-(piperidin-1-ylmethyl)-NIT
XANTHENE-9-CARBALDEHYDE
3H-Diazirin-3-ol, 3-(phenoxymethyl)-, acetate (ester)
Diphenylmethyl-dichlormethyl-sulfon
