56 citations · 91 across the 3 of their papers we have counts for
3 papers
Tautomeric equilibrium in condensed phases
Emanuele Grifoni, GiovanniMaria Piccini, Michele Parrinello
We present an ab initio molecular dynamics (MD) investigation of the tautomeric equilibrium for aqueous solutions of glycine and acetone at realistic experimental conditions. Metad…
How collective phenomena impact CO2 reactivity and speciation in different media
Daniela Polino, Emanuele Grifoni, Roger Rousseau +2
CO2 has attracted considerable attention in the recent years due to its role in the greenhouse effect and environmental management. While its reaction with water has been studied e…
A microscopic description of acid-base equilibrium
Emanuele Grifoni, GiovanniMaria Piccini, Michele Parrinello
Acid-base reactions are ubiquitous in nature. Understanding their mechanisms is crucial in many fields, from biochemistry to industrial catalysis. Unfortunately, experiments only g…