The molecular mechanism and energetics of carbonic acid dissociation in aqueous environment studied by ab initio molecular dynamics and metadynamics computer simulations

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ADS bibcode
2006AGUFM.V53D1782K
year
2006
Listed Authors
Kumar P., P.
Kalinichev, A. G.
Kirmpatrick, R.
Listed Institutions
Department of Geology, University of Illinois at Urbana-Champaign, Urbana, IL 61801 United States
Department of Geology, University of Illinois at Urbana-Champaign, Urbana, IL 61801 United States ; NSF WaterCAMPwS STC, University of Illinois at Urbana-Champaign, Urbana, IL 61801 United States
Department of Geology, University of Illinois at Urbana-Champaign, Urbana, IL 61801 United States ; NSF WaterCAMPwS STC, University of Illinois at Urbana-Champaign, Urbana, IL 61801 United States

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