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Ab initio derived force-field parameters for molecular dynamics simulations of deprotonated amorphous-SiO2/water interfaces.

Authors :
Butenuth, Anke
Moras, Gianpietro
Schneider, Julian
Koleini, Mohammad
Köppen, Susan
Meißner, Robert
Wright, Louise B.
Walsh, Tiffany R.
Ciacchi, Lucio Colombi
Source :
Physica Status Solidi (B); Feb2012, Vol. 249 Issue 2, p292-305, 14p
Publication Year :
2012

Details

Language :
English
ISSN :
03701972
Volume :
249
Issue :
2
Database :
Complementary Index
Journal :
Physica Status Solidi (B)
Publication Type :
Academic Journal
Accession number :
70470768
Full Text :
https://doi.org/10.1002/pssb.201100786