Computational organometallic chemistry
Auteur :
Cundari, Thomas R.
Éditeur :
Taylor & Francis Inc
ISBN :
9780824704780
Date de publication :
16 mars 2001
Dimensions :
22,9 x 15,2 cm
Poids :
980 g
Langue :
Anglais
Pays d'origine :
USA
This work provides a how-to approach to the fundamentals, methodologies and dynamics of computational organometallic chemistry, including classical and molecular mechanics (MM), quantum mechanics (QM), and hybrid MM/QM techniques. It demonstrates applications in actinide chemistry, catalysis, main group chemistry, medicine, and organic synthesis.