Density functional crystal vs. cluster models as applied to zeolites

International Journal of Quantum Chemistry

Volumn 68, Issue 2, 1998, Pages 135-144

  Kessi, A ^a   Delley, B ^a  

^a PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

Cluster models; Crystal models; Density functional theory; Geometry optimization; Zeolites

Indexed keywords

EID: 0001086198     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1998)68:2<135::AID-QUA6>3.0.CO;2-W     Document Type: Article

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