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Orientation, location, and total energy of hydration of channel H2O in cordierite investigated by ab-initio total energy calculations

Author
WINKLER, B1 ; MILMAN, V; PAYNE, M. C
[1] Christian Albrechts Univ., Mineralogisch-Petrographisches Inst., 24098 Kiel, Germany
Source

The American mineralogist. 1994, Vol 79, Num 1-2, pp 200-204 ; ref : 31 ref

CODEN
AMMIAY
ISSN
0003-004X
Scientific domain
Crystallography; Geology
Publisher
Mineralogical Society of America, Washington, DC
Publication country
United States
Document type
Article
Language
English
Keyword (fr)
Aluminium silicate Calcul ab initio Cordiérite Energie réticulaire Energie totale Etat fondamental Etude théorique Fer Aluminosilicate Fer silicate Hydratation Hydrate Localisation Magnésium Aluminosilicate Magnésium silicate Minéral Orientation (Mg,Fe)2[Al4Si5]O18 Al Fe Mg O Si Composé minéral Métal transition composé
Keyword (en)
Aluminium silicates Ab initio calculations Cordierite Lattice energy Total energy Ground states Theoretical study Iron Aluminosilicates Iron silicates Hydration Hydrates Localization Magnesium Aluminosilicates Magnesium silicates Minerals Orientation Inorganic compounds Transition element compounds
Keyword (es)
Cordierita Energía total Aluminosilicato Localización Aluminosilicato
Classification
Pascal
001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60A Structure of solids and liquids; crystallography / 001B60A50 Crystalline state (including molecular motions in solids) / 001B60A50L Crystal binding; cohesive energy

Pacs
6150L Crystal binding; cohesive energy

Discipline
Physics of condensed state : structure, mechanical and thermal properties
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
4197098

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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