Articles with "initio spectroscopic" as a keyword



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Ab Initio Spectroscopic Investigation of Pharmacologically Relevant Chiral Molecules: The Cases of Avibactam, Cephems, and Idelalisib as Benchmarks for Antibiotics and Anticancer Drugs

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Published in 2021 at "Symmetry"

DOI: 10.3390/sym13040601

Abstract: The ability to accurately measure or predict several physicochemical properties of molecules which play a role as active substances in drugs can be of strategic importance for pharmacological applications, in addition to its possible interest… read more here.

Keywords: relevant chiral; investigation pharmacologically; chiral molecules; initio spectroscopic ... See more keywords