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Cover Picture: Ab Initio H2O in Realistic Hydrophilic Confinement (ChemPhysChem 18/2014) |
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| Authors: | Dr. Christoph Allolio Felix Klameth Prof. Michael Vogel Prof. Daniel Sebastiani |
| Affiliation: | 1. Department of Chemistry, Martin‐Luther Universit?t, Halle‐Wittenberg von‐Danckelmann‐Platz 4, 06120 Halle/Saale (Germany), Fax: (+49)?0345‐5527157;2. Institut für Festk?rperphysik, Technische Universit?t Darmstadt, Hochschulstr. 6‐8, 64289 Darmstadt (Germany) |
| Abstract: | |
| Keywords: | density functional calculations mesoporous materials molecular dynamics phase transitions water chemistry |