Density Functional Theory for Transition Metal Chemistry: The Case of a Water-Splitting Ruthenium Cluster

Modeling of Molecular Properties

Volumn , Issue , 2011, Pages 137-163

  Podewitz, Maren ^a   Weymuth, Thomas ^a   Reiher, Markus ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Density functional theory; Quantum chemistry; Reaction mechanisms; Ruthenium clusters; Theoretical chemistry; Transition metal chemistry; Water splitting catalysis

Indexed keywords

EID: 84867849015     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527636402.ch10     Document Type: Chapter

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