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      Activation of Lattice and Adatom Oxygen by Highly Stable Ceria-Supported Cu Single Atoms

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          Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study

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            ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT.

            A software package for the analysis of X-ray absorption spectroscopy (XAS) data is presented. This package is based on the IFEFFIT library of numerical and XAS algorithms and is written in the Perl programming language using the Perl/Tk graphics toolkit. The programs described here are: (i) ATHENA, a program for XAS data processing, (ii) ARTEMIS, a program for EXAFS data analysis using theoretical standards from FEFF and (iii) HEPHAESTUS, a collection of beamline utilities based on tables of atomic absorption data. These programs enable high-quality data analysis that is accessible to novices while still powerful enough to meet the demands of an expert practitioner. The programs run on all major computer platforms and are freely available under the terms of a free software license.
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              Canonical dynamics: Equilibrium phase-space distributions

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                Author and article information

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                Journal
                ACS Catalysis
                ACS Catal.
                American Chemical Society (ACS)
                2155-5435
                2155-5435
                November 04 2022
                October 25 2022
                November 04 2022
                : 12
                : 21
                : 13649-13662
                Affiliations
                [1 ]The Gene and Linda Voiland School of Chemical Engineering and Bioengineering, Washington State University, Pullman, Washington99164, United States
                [2 ]Environmental Molecular Sciences Laboratory, Richland, Washington99354, United States
                [3 ]Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington99354, United States
                [4 ]Laboratory of Inorganic Materials and Catalysis, Department of Chemical Engineering and Chemistry, Eindhoven University of Technology, P.O. Box 513, 5600 MBEindhoven, The Netherlands
                [5 ]Department of Chemical and Biological Engineering and Center for Micro-engineered Materials, University of New Mexico, Albuquerque, New Mexico87131, United States
                Article
                10.1021/acscatal.2c04001
                d1fc39d7-7c21-43a4-800d-69bc9322581b
                © 2022

                https://doi.org/10.15223/policy-029

                https://doi.org/10.15223/policy-037

                https://doi.org/10.15223/policy-045

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