A quantum chemical mechanism for the water-initiated decomposition of silica

Computational Materials Science

Volumn 27, Issue 1-2, 2003, Pages 102-108

  Del Bene, Janet E ^a,b   Runge, Keith ^a   Bartlett, Rodney J ^a  

^a UNIVERSITY OF FLORIDA   (United States)

^b YOUNGSTOWN STATE UNIVERSITY   (United States)

Author keywords

Ab initio quantum chemistry; Hydrolytic weakening; Quantum mechanics; Silica; Water; Water dimer

Indexed keywords

AMORPHOUS MATERIALS; DECOMPOSITION; HYDROLYSIS; QUANTUM THEORY; WATER;

BOND FRACTURE;

SILICA;

EID: 0037370114     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0927-0256(02)00432-9     Document Type: Conference Paper

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