Water molecules in single file: First-principles studies of one-dimensional water chains in zeolites

Journal of Physical Chemistry B

Volumn 105, Issue 15, 2001, Pages 3012-3016

  Fois, Ettore ^a   Gamba, Aldo ^a   Tabacchi, Gloria ^b   Quartieri, Simona ^c   Vezzalini, Giovanna ^c  

^a UNIVERSITY OF INSUBRIA   (Italy)

^b MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^c UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CAR PARRINELLO METHOD; HOST-GUEST DIPOLAR INTERACTION; ONE-DIMENSIONAL WATER CHAIN;

CALCULATIONS; COMPUTER SIMULATION; MOLECULAR STRUCTURE; WATER; ZEOLITES;

MOLECULAR DYNAMICS;

EID: 0037134579     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp002752l     Document Type: Article

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