Computational study of brønsted acidity of mordenite. Effect of the electric field on the infrared OH stretching frequencies

Journal of Physical Chemistry C

Volumn 114, Issue 36, 2010, Pages 15424-15431

  Sastre, German ^a   Katada, Naonobu ^b   Niwa, Miki ^b  

^a UNIVERSITAT POLITÈCNICA DE VALÈNCIA   (Spain)

^b TOTTORI UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CAGE SIZES; CHEMICAL PARAMETERS; COMMERCIAL SAMPLE; COMPLEX MIXTURE; COMPUTATIONAL RESULTS; COMPUTATIONAL STUDIES; EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; GEOMETRICAL PARAMETERS; HIGH FREQUENCY BANDS; IR FREQUENCIES; LOW FREQUENCY BAND; MORDENITES; O-H STRETCHING BANDS; PERIODIC DENSITY; PHYSICOCHEMICAL PROPERTY; RELIABLE MODELS; STRETCHING FREQUENCY; UNIT CELLS;

ELECTRIC FIELDS; FREQUENCY BANDS; MICROPOROSITY; MICROPOROUS MATERIALS; SILICATE MINERALS; SILICON COMPOUNDS; ZEOLITES;

ALUMINUM;

EID: 77956520368     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp104316e     Document Type: Article

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