A combined theoretical and experimental EXAFS study of the structure and dynamics of Au147 nanoparticles

Probing the Limits of Conventional Extended X-ray Absorption Fine Structure Analysis Using Thiolated Gold Nanoparticles

(2015) Samuel T. Chill et al.   ACS Nano

Structural and Electronic Properties of Micellar Au Nanoparticles: Size and Ligand Effects

(2014) Farzad Behafarid et al.   ACS Nano

A theoretical and experimental examination of systematic ligand-induced disorder in Au dendrimer-encapsulated nanoparticles

(2013) David F. Yancey et al.   Chemical Science

X-ray absorption Debye-Waller factors fromab initiomolecular dynamics

(2012) F. D. Vila et al.   PHYSICAL REVIEW B

Fitting EXAFS data using molecular dynamics outputs and a histogram approach

(2012) Stephen W. T. Price et al.   PHYSICAL REVIEW B

Computational prediction ofL3EXAFS spectra of gold nanoparticles from classical molecular dynamics simulations

(2011) Otello Maria Roscioni et al.   PHYSICAL REVIEW B

Effects of surface disorder on EXAFS modeling of metallic clusters

(2010) Aaron Yevick et al.   PHYSICAL REVIEW B

Calculation of the lattice constant of solids with semilocal functionals

(2009) Philipp Haas et al.   PHYSICAL REVIEW B

Periodicity and Atomic Ordering in Nanosized Particles of Crystals

(2008) Valeri Petkov et al.   Journal of Physical Chemistry C

Thermodynamics of Environment-Dependent Oxygen Chemisorption on Pt(111)

(2008) Rachel B. Getman et al.   Journal of Physical Chemistry C

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS