Issue
Total 14 articles [ 키워드: Density Functional Theory ]
No. Article
11 Korean Journal of Chemical Engineering, 31 (11), pp.2077-2080 (2014)
Exploration for the potential precursors for zirconium carbide atomic layer deposition via comprehensive computational mechanistic study of the gas phase decomposition of neopentyl zirconium derivatives
Won YS
12 Korean Journal of Chemical Engineering, 31 (7), pp.1115-1119 (2014)
Reaction mechanisms for dithiothreitol as a measure of particulate matter induced oxidative potential activity by density functional theory
Bei Y, Liu Q
13 Korean Journal of Chemical Engineering, 29 (10), pp.1438-1443 (2012)
Computational study on the decomposition of tetraneopentyl zirconium for the chemical vapor deposition of zirconium carbide
Won YS
14 Korean Journal of Chemical Engineering, 21 (2), pp.537-547 (2004)
A Comparative Theoretical Study of Au, Ag and Cu Adsorption on TiO2 (110) Rutile Surfaces
Pillay D, Wang Y, Hwang GS
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