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Microscopic description of acid–base equilibrium

Acid–base reactions are ubiquitous in nature. Understanding their mechanisms is crucial in many fields, from biochemistry to industrial catalysis. Unfortunately, experiments give only limited information without much insight into the molecular behavior. Atomistic simulations could complement experim...

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Bibliografiske detaljer
Udgivet i:Proc Natl Acad Sci U S A
Main Authors: Grifoni, Emanuele, Piccini, GiovanniMaria, Parrinello, Michele
Format: Artigo
Sprog:Inglês
Udgivet: National Academy of Sciences 2019
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6410861/
https://ncbi.nlm.nih.gov/pubmed/30765522
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1819771116
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