Infrared and Raman spectra of silica polymorphs from an ab initio parametrized polarizable force field

Journal of Chemical Physics

Volumn 125, Issue 19, 2006, Pages

  Liang, Yunfeng ^a,b   Miranda, Caetano R ^b,c   Scandolo, Sandro ^b,c  

^a SISSA   (Italy)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^c ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTALLINE MATERIALS; HIGH TEMPERATURE EFFECTS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; QUARTZ; RAMAN SCATTERING; SPECTRUM ANALYSIS;

ATOMIC DISPLACEMENT; CRISTOBALITE; POLARIZABILITY; POLYMORPHS;

SILICA;

EID: 33845285553     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2390709     Document Type: Article

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