Dopant-induced 2D–3D transition in small Au-containing clusters: DFT-global optimisation of 8-atom Au–Ag nanoalloys

A Uniform Bimetallic Rhodium/Iron Nanoparticle Catalyst for the Hydrogenation of Olefins and Nitroarenes

(2011) Ikuse Nakamula et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

On the rotational temperature and structure dependence of electric field deflection experiments: A case study of germanium clusters

(2011) S. Heiles et al.   JOURNAL OF CHEMICAL PHYSICS

How Metallic are Small Sodium Clusters?

(2011) J. Bowlan et al.   PHYSICAL REVIEW LETTERS

Study of 40-atom Pt-Au clusters using a combined empirical potential-density functional approach

(2011) D. T. Tran et al.   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Isomer identification and resolution in small gold clusters

(2010) Wei Huang et al.   JOURNAL OF CHEMICAL PHYSICS

Density Functional Study of Hydrogen Binding on Gold and Silver−Gold Clusters

(2010) Shuang Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Equilibrium Geometries, Stabilities, and Electronic Properties of the Bimetallic M2-doped Aun(M = Ag, Cu;n= 1−10) Clusters: Comparison with Pure Gold Clusters

(2010) Ya-Ru Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Composition dependent adsorption of multiple CO molecules on binary silver–gold clusters AgnAum+ (n + m = 5): theory and experiment

(2010) Denisia M. Popolan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Validation study of the ability of density functionals to predict the planar-to-three-dimensional structural transition in anionic gold clusters

(2009) Manjeera Mantina et al.   JOURNAL OF CHEMICAL PHYSICS

A systematic search for minimum structures of small gold clusters Au[sub n] (n=2–20) and their electronic properties

(2009) Behnam Assadollahzadeh et al.   JOURNAL OF CHEMICAL PHYSICS

2D−3D Transition for Cationic and Anionic Gold Clusters: A Kinetic Energy Density Functional Study

(2009) Lara Ferrighi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Charge transfer driven surface segregation of gold atoms in 13-atom Au–Ag nanoalloys and its relevance to their structural, optical and electronic properties

(2008) Fuyi Chen et al.   ACTA MATERIALIA

Nanoalloys:  From Theory to Applications of Alloy Clusters and Nanoparticles

(2008) Riccardo Ferrando et al.   CHEMICAL REVIEWS

Binding energy and preferred adsorption sites of CO on gold and silver–gold cluster cations: Adsorption kinetics and quantum chemical calculations

(2008) Marco Neumaier et al.   FARADAY DISCUSSIONS

Structural motifs, mixing, and segregation effects in 38-atom binary clusters

(2008) Lauro Oliver Paz-Borbón et al.   JOURNAL OF CHEMICAL PHYSICS

Structure and Electric Properties of SnNClusters (N= 6−20) from Combined Electric Deflection Experiments and Quantum Theoretical Studies

(2008) Sascha Schäfer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dielectric response of germanium clusters

(2008) Sascha Schäfer et al.   PHYSICAL REVIEW B

A study of bimetallic Cu–Ag, Au–Ag and Pd–Ag clusters adsorbed on a double-vacancy-defected MgO(100) terrace

(2007) Giovanni Barcaro et al.   FARADAY DISCUSSIONS

Searching for the optimum structures of alloy nanoclusters

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