A proposal for an extended dual descriptor: a possible solution when Frontier Molecular Orbital Theory fails
Tognetti, Vincent, Morell, Christophe, Ayers, Paul W., Joubert, Laurent, Chermette, HenryVolume:
15
Year:
2013
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/C3CP51169C
File:
PDF, 2.47 MB
english, 2013