Quantum molecular dynamics simulations regarding the dechlorination of trichloro ethene in the interlayer space of the 2:1 clay mineral nontronite

Journal of Physical Chemistry A

Volumn 106, Issue 22, 2002, Pages 5498-5503

  Teppen, Brian J ^a   Yu, Ching Hsing ^b   Newton, Susan Q ^b   Miller, David M ^b   Schäfer, Lothar ^b  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b UNIVERSITY OF ARKANSAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

INTERLAYER SPACE; NONTRONITE; TRICHLORO ETHENE;

ADSORPTION; CATALYSIS; CHEMICAL BONDS; CLAY MINERALS; CRYSTAL LATTICES; DECHLORINATION; MOLECULAR STRUCTURE; OPTIMIZATION; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION;

MOLECULAR DYNAMICS;

EID: 0037030463     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0132127     Document Type: Article

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