Cation siting and dynamical properties of zeolite offretite from first-principles molecular dynamics

Journal of Physical Chemistry B

Volumn 101, Issue 48, 1997, Pages 9932-9939

  Campana, L ^a,b   Selloni, A ^a   Weber, J ^a   Goursot, A ^c  

^a UNIVERSITY OF GENEVA   (Switzerland)

^b EPFL   (Switzerland)

^c INSTITUT CHARLES GERHARDT   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; ELECTROSTATICS; HYDROGEN; IONS; MOLECULAR DYNAMICS; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; POTASSIUM; SODIUM;

CATION SITING; DENSITY FUNCTIONAL THEORY; ZEOLITE OFFRETITE;

ZEOLITES;

EID: 0031277001     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971167q     Document Type: Article

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