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Application of density functional theory based Car-Parrinello simulations to the study of catalytic processes Raugei, S; Kim, Dongsup; Klein, ML, QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, v.21, no.2, pp.149 - 165, 2002-07 |
Enhanced catalytic activity of air-calcined fluorination catalyst Chung, YS; Lee, H; Jeong, HD; Kim, YK; Lee, HG; Kim, HS; Kim, Sehun, JOURNAL OF CATALYSIS, v.175, no.2, pp.220 - 225, 1998-04 |
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