Suggested Topics within your search.
- DFT
- tiheysfunktionaaliteoria 7
- katalyysi 4
- platina 4
- Au cluster 2
- CASPT2 2
- CASSCF 2
- DFTB 2
- MgO surface 2
- MgO thin film 2
- NEVPT2 2
- WGS 2
- aurinkokennot 2
- broken symmetry DFT 2
- dye-sensitivity 2
- endohedral metallo-fullerenes 2
- energetiikka 2
- exchange interaction 2
- fysiikka 2
- gpaw 2
- heterogeneous 2
- hydraus 2
- hydrogenation 2
- hydroperoksidaatio 2
- hydroperoxidation 2
- hydrosilylaatio 2
- hydrosilylation 2
- katalyytit 2
- kemiallinen synteesi 2
- kemialliset reaktiot 2
-
1
Dye molecules on titatium dioxide surface: cluster and periodic surface models
Published 2008Get full text
Master's thesis -
2
-
3
Dye molecules on titatium dioxide surface: cluster and periodic surface models
Published 2008Get full text Get full textMaster's thesis -
4
Water dissociation and water-gas shift energetics on MgO, MgO/Ag and Au/MgO/Ag surfaces
Published 2011Get full text
Master's thesis -
5
Calculation of magnetic coupling constants with hybrid density functionals
Published 2013Get full text Get full textMaster's thesis -
6
Water dissociation and water-gas shift energetics on MgO, MgO/Ag and Au/MgO/Ag surfaces
Published 2011Get full text Get full textMaster's thesis -
7
Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems
Published 2018JYX-julkaisuarkisto / JYX Digital Archive
Doctoral dissertation -
8
Understanding selective reduction reactions with heterogeneous Pd and Pt : climbing out of the black box
Published 2016Doctoral dissertation -
9
Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems
Published 2018Yhteenveto-osa
Doctoral dissertation -
10
Formiaattimolekyylin dissosiaation määritys platina- ja rhodiumpinnoilla laskennallisesti
Published 2017Get full text Get full textMaster's thesis -
11
Understanding selective reduction reactions with heterogeneous Pd and Pt : climbing out of the black box
Published 2016JYX-julkaisuarkisto / JYX Digital Archive
Doctoral dissertation -
12
Computational modelling of boron nitride nanostructures based on density-functional tight-binding
Published 2014Get full text Get full textMaster's thesis -
13
Modeling of borophene with density-functional tight-binding
Published 2020Get full text Get full textMaster's thesis