How water molecules modulate the hydration of CO2 in water solution: Insight from the cluster-continuum model calculations

Journal of Computational Chemistry

Volumn 34, Issue 5, 2013, Pages 372-378

  Wang, Binju ^a,b   Cao, Zexing ^a,b  

^a XIAMEN UNIVERSITY   (China)

^b XIAMEN UNIVERSITY   (China)

Author keywords

cluster continuum model; CO2; hydration; proton transfer

Indexed keywords

BULK SOLVENTS; CARBONYL OXYGEN; DISSOCIATION PRODUCTS; EXPERIMENTAL VALUES; EXPLICIT WATER; HYDRATION PRODUCTS; MODEL CALCULATIONS; REACTION ENERGETICS; REACTIONS IN WATER; RELAY PROCESS; TRANSITION STATE; WATER BRIDGES; WATER MOLECULE; WATER PHASE; WATER SOLUTIONS;

CONTINUUM MECHANICS; HYDRATION; MOLECULES; PROTON TRANSFER; REACTION INTERMEDIATES;

CARBON DIOXIDE;

CARBON DIOXIDE; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; SOLUTION AND SOLUBILITY;

CARBON DIOXIDE; MOLECULAR STRUCTURE; QUANTUM THEORY; SOLUTIONS; WATER;

EID: 84872850917     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23144     Document Type: Article

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