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Pd-N to Pd-O rearrangement for a carbamate synthesis from carbon dioxide and methane: A density functional and ab initio molecular dynamics metadynamics study
Angew. Chem. Int. Ed. 2011, 50, A40-A45. -
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Comparison of free energy surfaces calculations from ab initio molecular dynamic simulations at the example of two transition metal catalyzed reactions
Int. J. Mol. Sci. 2011, 12, 1389-1409. -
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Intermolecular regioselective 1,2-diamination of allylic ethers
Adv. Synth. Catal. 2011, 353, 689-694.