Chemical reactivity theory: a density functional view
Éditeur :
Taylor & Francis Inc
ISBN :
9781420065435
Date de publication :
23 févr. 2009
Dimensions :
23,4 x 15,6 cm
Poids :
997 g
Langue :
Anglais
Pays d'origine :
USA
Introduces various aspects of density functional theory (DFT) and their connections to chemical reactivity theory. This work examines bonding, interactions, reactivity, dynamics, toxicity and aromaticity as well as fundamental aspects of DFT. It reviews key global and local reactivity descriptors and their variations under different perturbations.