AVS 65th International Symposium & Exhibition
    Actinides and Rare Earths Focus Topic Friday Sessions

Session AC+MI+SA-FrM
Actinide and Rare Earth Theory and Related Measurements

Friday, October 26, 2018, 8:20 am, Room 202C
Moderators: Paul S. Bagus, University of North Texas, David Shuh, Lawrence Berkeley National Laboratory


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  in Adobe Acrobat format  

Click a paper to see the details. Presenters are shown in bold type.

8:20am AC+MI+SA-FrM1 Invited Paper
Periodic Boundary Condition and Embedded Cluster DFT Calculations of Water Adsorption on AnO2 (An = U, Pu) Surfaces
Nikolas Kaltsoyannis, University of Manchester, UK, United Kingdom of Great Britain and Northern Ireland
9:00am AC+MI+SA-FrM3 Invited Paper
Understanding the Role of Oxidation States on the Chemistry of Actinides through Integration of Theory and Experiment
Wibe de Jong, J.K. Gibson, Lawrence Berkeley National Laboratory, R.J. Abergel, Lawrence Berkeley Lab, University of California, Berkeley
9:40am AC+MI+SA-FrM5
An Experimentalist’s Viewpoint: The Tremendous Strengths and Occasional Weaknesses of Actinide Cluster Calculations
James G. Tobin, University of Wisconsin-Oshkosh
10:00am AC+MI+SA-FrM6
Ligand and Metal XAS Edges In Heavy Metal Compounds
Paul S. Bagus, University of North Texas, C.J. Nelin, Consultant
10:40am AC+MI+SA-FrM8
XANES Investigation into the Electronic Structure of Ce Coordination Complexes
Liane Moreau, C.H. Booth, Lawrence Berkeley National Laboratory, Y. Qiao, E. Schelter, University of Pennsylvania
11:20am AC+MI+SA-FrM10
Ligand Induced Shape Transformation of Thorium Dioxide Nanocrystals
Gaoxue Wang, E. Batista, P. Yang, Los Alamos National Laboratory
11:40am AC+MI+SA-FrM11
Perspectives on the Synthesis, Characterization and Applications of Upconversion and Downconversion Nanomaterials
Martin Ntwaeaborwa, University of the Witwatersrand, South Africa