67 citations · 229 across the 9 of their papers we have counts for
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physics.chem-ph2019★ 56 cited
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…
physics.chem-ph2019
Accurate quantum chemical free energies at affordable cost
GiovanniMaria Piccini, Michele Parrinello
Free energy sampling methods allow studying the full dynamics of activated processes. Unfortunately, the affordable accuracy of the potential describing the energy and forces of th…