Determination of the energy landscape of Pd12Pt1 using a combined genetic algorithm and threshold energy method

Tetrahelix Conformations and Transformation Pathways in Pt1Pd12 Clusters

(2012) Rafael Pacheco-Contreras et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural, Electronic, and Magnetic Properties Of ConCum Nanoalloys (m + n = 12) from First Principles Calculations

(2012) F. Aguilera-Granja et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental Evidence of Icosahedral and Decahedral Packing in One-Dimensional Nanostructures

(2011) J. Jesús Velázquez-Salazar et al.   ACS Nano

Chirality in Copper Nanoalloy Clusters

(2011) Hadassah Elgavi et al.   Journal of Physical Chemistry C

Design of AgM Bimetallic Alloy Nanostructures (M = Au, Pd, Pt) with Tunable Morphology and Peroxidase-Like Activity

(2010) Weiwei He et al.   CHEMISTRY OF MATERIALS

Modulation of catalyst particle structure upon support hydroxylation: Ab initio insights into Pd13 and Pt13/γ-Al2O3

(2010) Chao Hao Hu et al.   JOURNAL OF CATALYSIS

Prediction, determination and validation of phase diagrams via the global study of energy landscapes

(2009) J. C. Schön et al.   International Journal of Materials Research

Connectivity in the potential energy landscape for binary Lennard-Jones systems

(2009) Vanessa K. de Souza et al.   JOURNAL OF CHEMICAL PHYSICS

The performance of minima hopping and evolutionary algorithms for cluster structure prediction

(2009) Sandro E. Schönborn et al.   JOURNAL OF CHEMICAL PHYSICS

Structural Insights into 19-Atom Pd/Pt Nanoparticles: A Computational Perspective

(2009) Dora J. Borbón-González et al.   Journal of Physical Chemistry C

Theoretical Studies of Palladium−Gold Nanoclusters: Pd−Au Clusters with up to 50 Atoms

(2009) Faye Pittaway et al.   Journal of Physical Chemistry C

Structural Characterization of Pt−Pd and Pd−Pt Core−Shell Nanoclusters at Atomic Resolution

(2009) Sergio I. Sanchez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Predicting solid compounds via global exploration of the energy landscape of solids on theab initiolevel without recourse to experimental information

(2009) J. Christian Schön et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Assessing the efficiency of first-principles basin-hopping sampling

(2009) Ralf Gehrke et al.   PHYSICAL REVIEW B

Nanoalloys:  From Theory to Applications of Alloy Clusters and Nanoparticles

(2008) Riccardo Ferrando et al.   CHEMICAL REVIEWS

Crystal structure prediction from first principles

(2008) Scott M. Woodley et al.   NATURE MATERIALS

Searching for the optimum structures of alloy nanoclusters

(2007) Riccardo Ferrando et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS