화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 Mechanism of H-2 Production by the [FeFe](H) Subcluster of Di-Iron Hydrogenases: Implications for Abiotic Catalysts
Sbraccia C, Zipoli F, Car R, Cohen MH, Dismukes GC, Selloni A
Journal of Physical Chemistry B, 112(42), 13381, 2008
2 Orbital energetics and molecular recognition
George A, Abraham Y, Sbraccia C, Mogallapu V, Harris R, Car R, Schmitt JD
Journal of the American Chemical Society, 128(14), 4514, 2006
3 Methane dehydrogenation on Rh@Cu(111): A first-principles study of a model catalyst
Kokalj A, Bonini N, de Gironcoli S, Sbraccia C, Fratesi G, Baroni S
Journal of the American Chemical Society, 128(38), 12448, 2006
4 Energetically driven reorganization of a modified catalytic surface under reaction conditions
Locatelli A, Sbraccia C, Heun S, Baroni S, Kiskinova M
Journal of the American Chemical Society, 127(7), 2351, 2005
5 Adsorption of 3-pyrroline on Si(100) from first principles
Romero AH, Sbraccia C, Silvestrelli PL
Journal of Chemical Physics, 120(20), 9745, 2004
6 Engineering the reactivity of metal catalysts: A model study of methane dehydrogenation on Rh(111)
Kokalj A, Bonini N, Sbraccia C, de Gironcoli S, Baroni S
Journal of the American Chemical Society, 126(51), 16732, 2004
7 Adsorption of methylchloride on Si(100) from first principles
Romero AH, Sbraccia C, Silvestrelli PL, Ancilotto F
Journal of Chemical Physics, 119(2), 1085, 2003
8 Theoretical study of toluene chemisorption on Si(100)
Costanzo F, Sbraccia C, Silvestrelli PL, Ancilotto F
Journal of Physical Chemistry B, 107(37), 10209, 2003
9 Dissociative chemisorption of methylsilane on the Si(100) surface
Silvestrelli PL, Sbraccia C, Ancilotto F
Journal of Chemical Physics, 116(14), 6291, 2002
10 Adsorption of toluene on Si(100) from first principles
Costanzo F, Silvestrelli P, Sbraccia C, Ancilotto F
Materials Science Forum, 433-4, 575, 2002