Proceedings of the Korean Vacuum Society Conference (한국진공학회:학술대회논문집)
- 2014.02a
- /
- Pages.189.2-189.2
- /
- 2014
The Adsorption of the 3-methyl 5-pyrazolone on the Ge(100) Surface
Abstract
The most stable adsorption structures and energies of four tautomerized forms (keto-1, enol-1, keto-2, and enol-2) of 3-methyl 5-pyrazolone (MP) adsorbed on Ge(100) surfaces have been investigated by Density Functional Theory (DFT) calculation method. Among its four tautomerized forms, we confirmed three tautomerized forms except keto-1 form show the stable adsorption structures when they adsorbed on the Ge(100)-
Keywords