$Reaction dynamics of(hbox {CO}_2)in aqueous amines from ab initio molecular dynamics: 2-amino-2-methyl-1,3-propanediol (AMPD) compared to monoethanolamine (MEA)$

Reaction dynamics of(hbox {CO}_2)in aqueous amines from ab initio molecular dynamics: 2-amino-2-methyl-1,3-propanediol (AMPD) compared to monoethanolamine (MEA)

Ma, Changru; Pietrucci, Fabio; Andreoni, Wanda

期刊名称Theoretical Chemistry Accounts
作者Ma, Changru; Pietrucci, Fabio; Andreoni, Wanda
卷第135卷
期第3期
印刷ISSN1432-881X
电子ISSN1432-2234
文件大小1145.86KB
发表时间2016-3
DOI10.1007/s00214-016-1834-8

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Reaction dynamics of(hbox {CO}_2)in aqueous amines from ab initio molecular dynamics: 2-amino-2-methyl-1,3-propanediol (AMPD) compared to monoethanolamine (MEA)