This snapshot of state-of-the-art computational studies provides an overview of the vast field of computational organometallic chemistry. It features experts from Europe, Asia and the US that write about their area of expertise.These findings have stimulated intensive interest on the mechanism-directed and structuredirected catalyst design at the molecular level. ... more sophisticated electronic structure theory, favorably DFT methods in terms of cost effectiveness, to meet chemical ... Certainly, the quest for new density functional continues [108 a118]. ... Stahl SS, Labinger JA, Bercaw JE (1998) Angew Chem Int Ed 37:2180 13.
|Title||:||Computational Organometallic Chemistry|
|Author||:||Olaf Wiest, Yundong Wu|
|Publisher||:||Springer Science & Business Media - 2012-02-28|