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The IMOMM (Integrated Molecular Orbitals/Molecular Mechanics) Approach for Ligand-Stabilized Metal Clusters. Comparison to Full Density Functional Calculations for the Model Thiolate Cluster Cu 13 (SCH 2 CH 3 ) 8
Genest, Alexander, Woiterski, André, Krüger, Sven, Shor, Aleksey M., Rösch, NotkerVolume:
2
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct050202r
Date:
January, 2006
File:
PDF, 299 KB
english, 2006