Determination of the energy landscape of Pd12Pt1 using a combined genetic algorithm and threshold energy method†
Abstract
In this work we present a thorough exploration of the potential energy surface (
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* Corresponding authors
a
Departamento de Investigación en Física, Universidad de Sonora, Apdo. Postal 5-088, 83190 Hermosillo, Sonora, México
E-mail:
posada@cajeme.cifus.uson.mx
b Departamento de Matemáticas, Universidad de Sonora, 83000 Hermosillo, Sonora, México
c Programa de Doctorado en Ciencias de Materiales, Universidad de Sonora, 83000 Hermosillo, Sonora, México
d Department of Applied Physics and Competence Centre for Catalysis, Chalmers University of Technology, SE-41296 Göteborg, Sweden
e
School of Chemistry, University of Birmingham, Edgbaston, Birmingham, UK
E-mail:
r.l.johnston@bham.ac.uk
f
Max-Planck Institute for Solid State Research, Heisenbergstrasse 1, D-70569 Stuttgart, Germany
E-mail:
C.Schoen@fkf.mpg.de
In this work we present a thorough exploration of the potential energy surface (
R. Pacheco-Contreras, D. J. Borbón-González, M. Dessens-Félix, L. O. Paz-Borbón, R. L. Johnston, J. C. Schön, M. Jansen and A. Posada-Amarillas, RSC Adv., 2013, 3, 11571 DOI: 10.1039/C3RA41477A
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