© Materials Design 2002
Bond Strength
as Descriptor
Hydrodesulfurization
of dibenzothiophene (Pecoraro and Chianelli, 1981)
Crystal structures from ICSD database
Activity data from experiment
Bond strengths from VASP
computations
H. Toulhoat, P. Raybaud,
S. Kasztelan, G. Kresse and J. Hafner, Catalysis Today 50, 629 (1999)