Title : Ab initio metadynamics calculations of dimethylamine for probing pKb variations in bulk vs. surface environments.

Pub. Date : 2020 Nov 25

PMID : 33174561






1 Functional Relationships(s)
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1 While the pKb is typically defined in reference to the bulk aqueous phase, several studies have suggested that this value can differ significantly at the air-water interface (which can have significant ramifications for particle surface chemistry and aerosol growth modeling). Water AKT serine/threonine kinase 1 Homo sapiens