| Research area | Chemistry and Materials Science and Technology |
| Title | The Nature of [PdCl2(C2H4)(H2O)] as an Active Species in the Wacker Process: New Insights from Ab Initio Molecular Dynamics Simulations |
| Publication Type | Journal Article |
| Publication year | 2012 |
| Authors | Kovacs, G, Stirling, A, Lledos, A, Ujaque, G |
| Journal | Chemistry - A European Journal |
| Volume | 18 |
| Number | 18 |
| Pages | 5612-5619 |
| DOI | 10.1002/chem.201102138 |
