SIMONETTI, S.; BRIZUELA, G.; JUAN, A. - In: Surface Review and Letters (SRL) 15 (2008) 03, pp. 221-226
The Fe–C–H interaction near defects in iron structures was studied using qualitative structure calculations in the framework of the atom superposition and electron delocalization molecular orbital. Calculations were performed using three Fe clusters to simulate an edge dislocation, a...