https://www.selleckchem.com/pr....oducts/sabutoclax.ht
We find that large electronic active spaces are needed to obtain qualitatively accurate protonic densities for the HCN and FHF- molecules. Additionally, the multicomponent CASSCF method implemented here should have further applications for double-well protonic potentials and systems that are inherently electronically multireference.The α2a adrenoceptor is a medically relevant subtype of the G protein-coupled receptor family. Unfortunately, high-throughput techniques aimed at producing novel drug leads for this receptor have been larg
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