Research Highlights
Dissociation of H2CO3 Using Metadynamics
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or details see,
J. Chem. Phys.
, 126, 204315 (2007), "Dissociation of Carbonic Acid: Gas Phase Energetics and Mechanism from
ab initio
Metadynamics Simulation", Padma Kumar P., Andrey G. Kalinichev, and R. James Kirkpatrick.