A quantum molecular dynamics simulation study of the initial hydrolysis step in sol-gel process

Journal of Physical Chemistry B

Volumn 107, Issue 7, 2003, Pages 1518-1524

  Elanany, Mohamed ^a,b   Selvam, Parasuraman ^a,b,c   Yokosuka, Toshiyuki ^a,b   Takami, Seiichi ^a,b   Kubo, Momoji ^a,b   Imamura, Akira ^a,b   Miyamoto, Akira ^a,b,c  

^a TOHOKU UNIVERSITY   (Japan)

^b HIROSHIMA KOKUSAI GAKUIN UNIVERSITY   (Japan)

^c INDIAN INSTITUTE OF TECHNOLOGY BOMBAY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; COMPUTER SIMULATION; HAMILTONIANS; HYDROLYSIS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SOL-GELS;

ATOMIC LEVELS;

MOLECULAR DYNAMICS;

EID: 0037456383     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026816z     Document Type: Article

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