Simulating the reactions of CO2 in aqueous monoethanolamine solution by Reaction Ensemble Monte Carlo using the continuous fractional component method

SP Balaji, S Gangarapu, M Ramdin, A Torres-Knoop, H Zuilhof, ELV Goetheer, D Dubbeldam, TJH Vlugt

Research output: Contribution to journalArticleScientificpeer-review

29 Citations (Scopus)
Original languageEnglish
Pages (from-to)2661-2669
Number of pages9
JournalJournal of chemical theory and computation
Issue number6
Publication statusPublished - 2015

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