First-principles molecular dynamics simulations of NH 4+ and CH3COO− adsorption at the aqueous quartz interface

journal contribution

posted on 2012-01-01, 00:00 authored by L Wright, Tiffany WalshTiffany Walsh

First-principles molecular dynamics simulations of NH 4+ and CH3COO− adsorption at the aqueous quartz interface

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DOI - Is version of https://doi.org/10.1063/1.4769727

Location

College Park, Md.

Language

eng

Publication classification

C1.1 Refereed article in a scholarly journal

Journal

Journal of chemical physics

Volume

137

Season

Article 224702

Pagination

1 - 8

ISSN

0021-9606

eISSN

1089-7690

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Keywords

Science & Technology Physical Sciences Chemistry, Physical Physics, Atomic, Molecular & Chemical Chemistry Physics SILICA-PRECIPITATING PEPTIDES HYDROGEN-BOND DYNAMICS AMINO-ACIDS ZWITTERIONIC GLYCINE BINDING PEPTIDES FORCE-FIELD WATER SURFACE SPECIFICITY OXIDE

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