Zeolite force fields and experimental siliceous frameworks in a comparative infrared study

Journal of Physical Chemistry C

Volumn 116, Issue 49, 2012, Pages 25797-25805

  Bueno Perez R ^a   Calero, S ^a   Dubbeldam, D ^b   Ania, C O ^c   Parra, J B ^c   Zaderenko, A P ^a   Merkling, P J ^a  

^a UNIVERSIDAD PABLO DE OLAVIDE   (Spain)

^b UNIVERSITY OF AMSTERDAM   (Netherlands)

^c INSTITUTO NACIONAL DEL CARBÓN   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EXPERIMENTAL SPECTRA; FLEXIBLE FORCE; FORCE FIELDS; INFRARED SPECTRUM; IR SPECTRUM; PURE SILICA; QUANTITATIVE ASSESSMENTS; SIMILARITY INDICES;

SILICA;

MOLECULAR DYNAMICS;

EID: 84871025618     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp307972r     Document Type: Article

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