Molecular dynamics calculation of the vibrational spectra of OH groups in zeolites and on silica surfaces

Surface Science

Volumn 368, Issue 1-3, 1996, Pages 147-151

  Ermoshin, V A ^a,b   Smirnov, K S ^a   Bougeard, D ^b  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^b ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

Amorphous surfaces; Computer simulations; Silicon oxides; Vibrations of adsorbed molecules; Zeolites

Indexed keywords

ADSORPTION; CALCULATIONS; COMPUTER SIMULATION; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; MOLECULES; SILICA; SPECTROSCOPY; ZEOLITES;

AMORPHOUS SURFACES; HYDROXIDES; SILICON OXIDES; VIBRATIONAL SPECTRA;

SURFACES;

EID: 0030396835     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(96)01043-6     Document Type: Article

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