Fluorine environment in bioactive glasses: Ab initio molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 115, Issue 9, 2011, Pages 2038-2045

  Christie, Jamieson K ^a   Pedone, Alfonso ^b,c   Menziani, Maria Cristina ^c   Tilocca, Antonio ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b SCUOLA NORMALE SUPERIORE   (Italy)

^c UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVE GLASS; FLUORINE; MOLECULAR DYNAMICS; SILICON COMPOUNDS;

45S5 BIOGLASS; AB INITIO MOLECULAR DYNAMICS SIMULATION; ANTIBACTERIAL PROPERTIES; ATOMIC STRUCTURE; BIOGLASSES; BIOLOGICAL ACTIVITIES; BIOMEDICAL APPLICATIONS; CAR-PARRINELLO MOLECULAR DYNAMICS SIMULATIONS; COORDINATION SHELLS; HIGH TEMPERATURE; MIXED STATE; MODIFIER IONS; PHOSPHOSILICATE GLASS;

CRYSTAL ATOMIC STRUCTURE;

EID: 79952255125     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp110788h     Document Type: Article

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