Projects / Programmes
Elementarni procesi na površinah trdne snovi in v plinski fazi (Slovene)
Code |
Science |
Field |
Subfield |
1.04.01 |
Natural sciences and mathematics |
Chemistry |
Phyisical chemistry |
Code |
Science |
Field |
P003 |
Natural sciences and mathematics |
Chemistry |
P410 |
Natural sciences and mathematics |
Theoretical chemistry, quantum chemistry |
equilibrium structure, elementary processes, chemical kinetics, kinetic isotope effects, thermodynamics, quantum chemical methods and calculations, gas-surface interactions, surface science, transition metals, catalysis
Researchers (7)
Organisations (1)
no. |
Code |
Research organisation |
City |
Registration number |
No. of publicationsNo. of publications |
1. |
0106 |
Jožef Stefan Institute |
Ljubljana |
5051606000 |
90,753 |
Abstract
The aim of the project is the theoretical study of molecules and elementary steps in chemical reactions over nobel metal single crystal surfaces using quantum chemical methods. Particularly physico chemical parameters of individual systems and their interactions with metal surface of defined structure are calculated. Different absorption sites on the surface are available and a reliable identification of preferential reaction site can be obtained using our calculations.