화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Influence of substrate dynamics on CO-MgO(001) bonding-using molecular dynamics snapshots in quantum-chemical calculations
Herschend B, Baudin M, Hermansson K
Journal of Physical Chemistry B, 110(11), 5473, 2006
2 A combined molecular dynamics plus quantum mechanics method for investigation of dynamic effects on local surface structures
Herschend B, Baudin M, Hermansson K
Journal of Chemical Physics, 120(10), 4939, 2004
3 Characterization of the metal-ceramic bonding in the Ag/MgO(001) interface from ab initio calculations
Herschend B, Hermansson K, Alfredsson M, Zhukovskii YF, Kotomin EA, Jacobs PWM
Journal of Physical Chemistry B, 107(43), 11893, 2003
4 A First-Principles Study of the Ag/a-Al2O3(0001) Interface
Zhukovskii YF, Kotomin EA, Herschend B, Hermansson K, Jacobs PWM
International Journal of Molecular Sciences, 2(5), 271, 2001