Mechanism of the hydration of carbon dioxide: Direct participation of H2O versus microsolvation

Journal of Physical Chemistry A

Volumn 112, Issue 41, 2008, Pages 10386-10398

  Nguyen, Minh Tho ^a,b   Matus, Myrna H ^a   Jackson, Virgil E ^a   Ngan, Vu Thi ^b   Rostad, James R ^c   Dixon, David A ^a  

^a UNIVERSITY OF ALABAMA   (United States)

^b UNIVERSITY OF LEUVEN   (Belgium)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTIONS; BONDED SYSTEMS; CARBONIC ACIDS; CCSD; CLUSTER THEORIES; COMPLETE BASIS SETS; CONTINUUM SOLVENTS; CYCLIC TRANSITIONS; GAS PHASE; HEATS OF FORMATIONS; HYDRATION REACTIONS; HYDROGEN TRANSFERS; ION PAIRS; MICROSOLVATION; PREASSOCIATION; STATIONARY POINTS; TRANSITION STATES; WATER COMPLEXES; WATER DIMERS; WATER MOLECULES; WATER TRIMERS;

ACIDS; BINDING ENERGY; CARBON DIOXIDE; DEHYDRATION; DEWATERING; ENERGY BARRIERS; FREE ENERGY; GAS DYNAMICS; GASES; HYDRATION; HYDROGEN; MOLECULES; ORGANIC ACIDS; OXIDES; PHASE TRANSITIONS; SOLUTIONS;

CARBON MONOXIDE;

CARBON DIOXIDE; CARBONIC ACID; SOLVENT; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; SYNTHESIS; THERMODYNAMICS;

CARBON DIOXIDE; CARBONIC ACID; COMPUTER SIMULATION; MODELS, CHEMICAL; QUANTUM THEORY; SOLVENTS; THERMODYNAMICS; WATER;

EID: 55149090531     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp804715j     Document Type: Article

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