Acid solvation versus dissociation at “stardust conditions”: Reaction sequence matters
نویسندگان
چکیده
منابع مشابه
Molecular dynamics study of solvation effects on acid dissociation in aprotic media
Acid ionization in aprotic media is studied using Molecular Dynamics techniques. In particular, models for HCl ionization in acetonitrile and dimethylsulfoxide are investigated. The proton is treated quantum mechanically using Feynman path integral methods and the remaining molecules are treated classically. Quantum effects are shown to be essential for the proper treatment of the ionization. T...
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ژورنال
عنوان ژورنال: Science Advances
سال: 2019
ISSN: 2375-2548
DOI: 10.1126/sciadv.aav8179