검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
Initial steps toward automating the fitting of DFTB E-rep(r) Knaup JM, Hourahine B, Frauenheim T Journal of Physical Chemistry A, 111(26), 5637, 2007 |
| 2 |
Computational studies on polymer adhesion at the surface of gamma-Al2O3. I. The adsorption of adhesive component molecules from the gas phase Knaup JM, Kohler C, Frauenheim T, Blumenau AT, Amkreutz M, Schiffels P, Schneider B, Hennemann OD Journal of Physical Chemistry B, 110(41), 20460, 2006 |
| 3 |
The search for near interface oxide traps - First-principles calculations on intrinsic SiO2 defects Knaup JM, Deak P, Gali A, Hajnal Z, Frauenheim T, Choyke JW Materials Science Forum, 483, 569, 2005 |