An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysis
Bofill, Josep Maria, Ribas-Ariño, Jordi, García, Sergio Pablo, Quapp, WolfgangVolume:
147
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4994925
Date:
October, 2017
File:
PDF, 8.67 MB
english, 2017