Density functional theory calculations of hydrogen-containing defects in forsterite, periclase, and α-quartz

Journal of Physical Chemistry B

Volumn 105, Issue 40, 2001, Pages 9747-9754

  De Leeuw, Nora H ^a  

^a UNIVERSITY OF READING   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ENDOTHERMIC PROCESSES;

CRYSTAL DEFECTS; CRYSTAL LATTICES; ELECTRONIC STRUCTURE; HYDROGEN; MOLECULES; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; SILICON; WATER ABSORPTION;

QUARTZ;

EID: 0035846383     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0109978     Document Type: Article

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