All-electron scalar relativistic calculation of water molecule adsorption onto small gold clusters

Real-time electron dynamics simulation of the adsorption of an oxygen molecule on Pt and Au clusters

(2010) Yasumitsu Suzuki et al.   CHEMICAL PHYSICS LETTERS

A theoretical study of the effects of the charge state and size of gold clusters on the adsorption and dissociation of H2

(2009) Guo-Jun Kang 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

A DFT investigation of CO oxidation over neutral and cationic gold clusters

(2009) Antonio Prestianni et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

A density functional theory study of the Au7Hn (n=1–10) clusters

(2009) Meng Zhang et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

B3LYP study of water adsorption on cluster models of Pt(111), Pt(100) and Pt(110): Effect of applied electric field

(2008) Raquel Blanco et al.   ELECTROCHIMICA ACTA

Adsorption mechanism of water molecules surrounding Au nanoparticles of different sizes

(2008) Chun-I Chang et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption of water molecules inside a Au nanotube: A molecular dynamics study

(2008) Meng-Hsiung Weng et al.   JOURNAL OF CHEMICAL PHYSICS

Structural and electronic properties of stable Aun (n=2–13) clusters: A density functional study

(2008) Ajanta Deka et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Theoretical study of the adsorption of carbon monoxide on small copper clusters

(2007) Luis Padilla-Campos   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM