The reorientation mechanism of hydroxide ions in water: A molecular dynamics study

Chemical Physics Letters

Volumn 481, Issue 1-3, 2009, Pages 9-16

  Sun, Xiuquan ^a   Yoo, Soohaeng ^a   Xantheas, Sotiris S ^a   Dang, Liem X ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL MOLECULAR DYNAMICS; COUPLED TRANSLATION; FIVE-COORDINATED; HYDROGEN BOND ACCEPTORS; HYDROGEN BOND DONORS; HYDROXIDE IONS; MINIMUM ENERGY CONFIGURATION; POLARIZABLE FORCE FIELD; RATE LIMITING; SOLVATION SHELL; STRUCTURAL MOTIFS; TWO-STEP MECHANISMS; WATER MOLECULE;

BINDING SITES; HYDROGEN BONDS; MOLECULAR DYNAMICS; SOLVATION;

HYDROGEN;

EID: 72049108356     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.09.004     Document Type: Article

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