Local structure of nanosized tungstates revealed by evolutionary algorithm: Local structure of nanosized tungstates
journal
January 2015
Chapter 6 Characterization of Catalysts in Reactive Atmospheres by X‐ray Absorption Spectroscopy
book
February 2009
In situ formation of hydrides and carbides in palladium catalyst: When XANES is better than EXAFS and XRD
journal
April 2017
Probing structural relaxation in nanosized catalysts by combining EXAFS and reverse Monte Carlo methods
journal
February 2017
Progress in the theory and interpretation of XANES
journal
January 2005
Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach
journal
April 2015
Probing the Limits of Conventional Extended X-ray Absorption Fine Structure Analysis Using Thiolated Gold Nanoparticles
journal
February 2015
Reactivity of Surface Species in Heterogeneous Catalysts Probed by In Situ X-ray Absorption Techniques
journal
February 2013
Synchrotron Techniques for In Situ Catalytic Studies: Capabilities, Challenges, and Opportunities
journal
September 2012
Solving the Structure of Size-Selected Pt Nanocatalysts Synthesized by Inverse Micelle Encapsulation
journal
June 2010
Shape-Dependent Catalytic Properties of Pt Nanoparticles
journal
November 2010
Structure, Chemical Composition, And Reactivity Correlations during the In Situ Oxidation of 2-Propanol
journal
May 2011
The Emergence of Nonbulk Properties in Supported Metal Clusters: Negative Thermal Expansion and Atomic Disorder in Pt Nanoclusters Supported on γ-Al 2 O 3
journal
May 2009
An in Situ Study of Bond Strains in 1 nm Pt Catalysts and Their Sensitivities to Cluster–Support and Cluster–Adsorbate Interactions
journal
October 2013
Numerical Simulation of the Platinum LIII Edge White Line Relative to Nanometer Scale Clusters
journal
July 1997
Asymmetric pair distribution functions in catalysts
journal
January 2000
Towards the computational design of solid catalysts
journal
April 2009
To address surface reaction network complexity using scaling relations machine learning and DFT calculations
journal
March 2017
Solving local structure around dopants in metal nanoparticles with ab initio modeling of X-ray absorption near edge structure
journal
January 2016
Parameter-free calculations of X-ray spectra with FEFF9
journal
January 2010
L-edge XANES analysis of photoexcited metal complexes in solution
journal
January 2010
In situ coarsening study of inverse micelle-prepared Pt nanoparticles supported on γ-Al2O3: pretreatment and environmental effects
journal
January 2012
Applications of extended X-ray absorption fine-structure spectroscopy to studies of bimetallic nanoparticle catalysts
journal
January 2012
Sensitivity of Pt x-ray absorption near edge structure to the morphology of small Pt clusters
journal
February 2002
High Throughput In Situ XAFS Screening of Catalysts
Tsapatsaris, Nikolaos; Beesley, Angela M.; Weiher, Norbert
X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference, AIP Conference Proceedings
https://doi.org/10.1063/1.2644604
conference
January 2007
Geometrical Characteristics of Regular Polyhedra: Application to EXAFS Studies of Nanoclusters
Glasner, Dana; Frenkel, Anatoly I.
X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference, AIP Conference Proceedings
https://doi.org/10.1063/1.2644651
conference
January 2007
Synchrotron Studies of Catalysts: From XAFS to QEXAFS and Beyond
journal
January 2009
Self-consistent aspects of x-ray absorption calculations
journal
August 2009
Machine learning of molecular electronic properties in chemical compound space
journal
September 2013
Three-dimensional local structure refinement using a full-potential XANES analysis
journal
April 2007
Local ordering of nanostructured Pt probed by multiple-scattering XAFS
journal
September 2007
Dynamic structure in supported Pt nanoclusters: Real-time density functional theory and x-ray spectroscopy simulations
journal
September 2008
Effects of surface disorder on EXAFS modeling of metallic clusters
journal
March 2010
Anomalous lattice dynamics and thermal properties of supported size- and shape-selected Pt nanoparticles
journal
October 2010
Thermodynamic properties of Pt nanoparticles: Size, shape, support, and adsorbate effects
journal
December 2011
Quantitative Analysis of X-Ray Absorption Near Edge Structure Data by a Full Multiple Scattering Procedure: The Fe-CO Geometry in Photolyzed Carbonmonoxy-Myoglobin Single Crystal
journal
September 2001
Theoretical approaches to x-ray absorption fine structure
journal
July 2000
MXAN : a new software procedure to perform geometrical fitting of experimental XANES spectra
journal
March 2001
Solving the structure of nanoparticles by multiple-scattering EXAFS analysis
journal
May 1999
Alternative difference analysis scheme combining R -space EXAFS fit with global optimization XANES fit for X-ray transient absorption spectroscopy
journal
May 2017
The Problem with Determining Atomic Structure at the Nanoscale
journal
April 2007
Modeling the Structure and Composition of Nanoparticles by Extended X-Ray Absorption Fine-Structure Spectroscopy
journal
July 2011
Solving the 3D structure of metal nanoparticles
journal
January 2007
Nondestructive Speciation of Solid Mixtures by Multivariate Calibration of X-Ray Absorption Near-Edge Structure Using Artificial Neural Networks and Partial Least-Squares.
journal
January 2000
Neural Networks in Materials Science.
journal
January 1999