Computational organometallic chemistry
Auteur :
Cundari, Thomas R.
Éditeur :
Taylor & Francis Ltd
ISBN :
9780367397494
Date de publication :
13 déc. 2019
Dimensions :
22,9 x 15,2 cm
Poids :
820 g
Langue :
Anglais
Pays d'origine :
Grande Bretagne
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.