Theoretical analysis of the oxygen insertion process in the oxidation reactions of H2O + H/Si(100) and 2H + H2O/Si(100): A molecular orbital calculation and an analysis of tunneling reaction

Chemical Physics Letters

Volumn 383, Issue 5-6, 2004, Pages 523-527

  Watanabe, Hidekazu ^a   Nanbu, Shinkoh ^b   Wang, Zhi Hong ^b,c   Maki, Jun ^b   Urisu, Tsuneo ^b,c   Aoyagi, Mutsumi ^d   Ooi, Kenta ^a  

^a AIST Shikoku   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^c GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

^d KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

OXYGEN; SILICON DERIVATIVE; WATER;

AB INITIO CALCULATION; ARTICLE; ATOM; CHEMICAL REACTION; ENERGY; MOLECULAR MODEL; OXIDATION; REACTION ANALYSIS; THEORETICAL MODEL;

EID: 0345862182     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.11.052     Document Type: Article

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