Structure, dynamics, and hydration free energy of carbon dioxide in aqueous solution: a quantum mechanical/molecular mechanics molecular dynamics …

N Prasetyo, TS Hofer - Journal of Chemical Theory and …, 2018 - ACS Publications
The solvation of carbon dioxide in solution represents a key step for the capture and fixation
CO2 in nature, which may be further influenced by the formation of (bi) carbonate species …

Structure, Dynamics, and Hydration Free Energy of Carbon Dioxide in Aqueous Solution: A Quantum Mechanical/Molecular Mechanics Molecular Dynamics …

N Prasetyo, TS Hofer - Journal of chemical theory and …, 2018 - pubmed.ncbi.nlm.nih.gov
The solvation of carbon dioxide in solution represents a key step for the capture and fixation
CO 2 in nature, which may be further influenced by the formation of (bi) carbonate species …

Structure, Dynamics, and Hydration Free Energy of Carbon Dioxide in Aqueous Solution: A Quantum Mechanical/Molecular Mechanics Molecular Dynamics …

N Prasetyo, TS Hofer - Journal of Chemical Theory and …, 2018 - europepmc.org
The solvation of carbon dioxide in solution represents a key step for the capture and fixation
CO 2 in nature, which may be further influenced by the formation of (bi) carbonate species …