Escitalopram is the purified functional isomer contained in citalopram. Escitalopram is now prescribed in 26 countries. In the United States, the only US Food and Drug Administration (FDA ...

Isomers are compounds with the same molecular formulae but different structural formulae. They have the same number of each type of atom. They can be part of the same or different homologous ...

DFT calculations using the LDA, two gradient corrected functionals (PBE[160] and BLYP) and a hybrid functional (B3LYP) were then performed at the B3LYP optimised geometries for comparison with the DMC ...

The research compared many different density functional theory (DFT ... The results point toward a systematic way to establish which isomers are present in the ground state for a variety of ...