https://www.selleckchem.com/pr....oducts/pifithrin-u.h
A reference implementation within the established ProteoWizard toolkit is provided.Despite its widespread use in chemical discovery, approximate density functional theory (DFT) is poorly suited to many targets, such as those containing open-shell, 3d transition metals that can be expected to have strong multireference (MR) character. For discovery workflows to be predictive, we need automated, low-cost methods that can distinguish the regions of chemical space where DFT should be applied from those where it should not. We curate mor
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