Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital-weighted fukui function.

Sun, 01 Jan 2017 00:00:00 +0100

Ricardo Pino-Rios , Osvaldo Yañez , Diego Inostroza , Lina Ruiz , Carlos Cárdenas , Patricio Fuentealba, William Tiznado :
Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital-weighted fukui function. J. Comput. Chem. 38(8): 481-488 (2017)