Abstract
It is shown that new density functionals provide accurate binding energies for conjugated alkenes in Pd and Pt complexes.
Original language | English (US) |
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Pages (from-to) | 80-88 |
Number of pages | 9 |
Journal | Journal of Molecular Catalysis A: Chemical |
Volume | 324 |
Issue number | 1-2 |
DOIs | |
State | Published - 2010 |
Keywords
- Binding energy
- Brueckner coupled cluster calculations
- Conjugated pi systems
- Density functionals
- Pd and Pt complexes