Ab Initio H2O in Realistic Hydrophilic Confinement
- Author
- ALLOLIO, Christoph1 ; KLAMETH, Felix2 ; VOGEL, Michael2 ; SEBASTIANI, Daniel1
[1] Department of Chemistry, Martin-Luther Universität, Halle-Wittenberg von-Danckelmann-Platz 4, 06120 Halle/Saale, Germany
[2] Institut für Festkörperphysik, Technische Universität Darmstadt, Hochschulstr. 6-8, 64289 Darmstadt, Germany - Source
ChemPhysChem (Print). 2014, Vol 15, Num 18, pp 3955-3962, 8 p ; ref : 68 ref
- Publisher
- Wiley, Weinheim
- Publication country
- Germany
- Document type
- Article
- Language
- English
- Author keyword
- density functional calculations mesoporous materials molecular dynamics phase transitions water chemistry
- Keyword (fr)
- Chimie Confinement Dynamique moléculaire Eau Hydrophilie Mésoporosité Méthode fonctionnelle densité Transition phase Matériau poreux
- Keyword (en)
- Chemistry Confinement Molecular dynamics Water Hydrophily Mesoporosity Density functional method Phase transitions Porous material
- Keyword (es)
- Química Confinamiento Dinámica molecular Agua Hidrofilia Mesoporosidad Transición fase Material poroso
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01J Colloidal state and disperse state / 001C01J08 Porous materials
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 29041820
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1002/cphc.201402371 
https://dx.doi.org/10.1002/cphc.201402371
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