Modeling dynamics of the external surface of zeolite LTA

Microporous and Mesoporous Materials

Volumn 123, Issue 1-3, 2009, Pages 268-273

  Abril, Diana M ^a   Slater, Ben ^b   Blanco, Cristian ^a  

^a UNIVERSIDAD INDUSTRIAL DE SANTANDER   (Colombia)

^b DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

Author keywords

Force field; Molecular dynamics; Surface dynamics; Zeolite LTA

Indexed keywords

AUTOCORRELATION FUNCTIONS; BODY POTENTIAL; DEGREE OF FREEDOM; DIPOLE-DIPOLE; EXTERNAL SURFACES; FORCE CONSTANTS; FORCE FIELD; FORCE FIELDS; HARMONIC APPROXIMATION; IR SPECTRUM; LOW FREQUENCY; MICROCANONICAL ENSEMBLES; O-H BOND; POINT CHARGE; SHORT RANGE INTERACTIONS; SURFACE DYNAMICS; SURFACE HYDROGEN; TOTAL ENERGY; VIBRATIONAL FREQUENCIES; ZEOLITE LTA; ZEOLITE STRUCTURE; ZEOLITE SURFACES;

EVAPORATIVE COOLING SYSTEMS; HYDROGEN; MOLECULAR DYNAMICS; MOLECULAR SPECTROSCOPY; REGRESSION ANALYSIS; SILICON COMPOUNDS; THERMOANALYSIS; ZEOLITES;

DYNAMICS;

EID: 66149186642     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2009.04.010     Document Type: Article

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