Molecular properties of betahistine—an ab initio study
نویسندگان
چکیده
Abstract Betahistine serves as a medicament widely used in curing some diseases related to the nervous system. Its molecular properties have been studied by ab initio MO-LCAO-SCF method followed correction electron correlation (MP2) vacuo well water solvent. The chemical potential (electronegativity) and hardness were verified valuable descriptors compared with structurally analogous species.
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ژورنال
عنوان ژورنال: Chemical Papers
سال: 2023
ISSN: ['1336-9075', '2585-7290', '0366-6352']
DOI: https://doi.org/10.1007/s11696-023-02873-6