Ab initio force field for aluminosilicates; molecular dynamics simulation of the infrared spectra of zeolites

Journal of Molecular Structure

Volumn 410-411, Issue , 1997, Pages 371-374

  Ermoshin, Vladimir A ^a,b   Smirnov, Konstantin S ^b   Bougeard, Daniel ^a  

^a UNIV LILLE   (France)

^b ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

Ab initio calculations; Force field calculation; Molecular dynamics simulation; Vibrational spectra of zeolite

Indexed keywords

EID: 0040826601     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(96)09586-5     Document Type: Conference Paper

References (8)

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