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XAS studies of metal speciation in hydrothermal fluids

Yuan Tian
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TLDR
In this paper, metal speciation and hydrothermal ore deposits are investigated in the context of XAS technology, and the results show that XAS can be used to extract metal speci cally.
Abstract
........................................................................................... v Declaration..................................................................................... vii Acknowledgements......................................................................... ix List of publications......................................................................... xi Chapter 1 ......................................................................................... 1 1.1 Metal speciation and hydrothermal ore deposits ...................................................... 3 1.2 Research objectives .................................................................................................. 6 1.3 Experimental approaches and advances of XAS technology ................................... 6 1.4 Thesis organization................................................................................................. 11 1.5 References .............................................................................................................. 12 Chapter 2 ....................................................................................... 21 2.

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Book

Density-functional theory of atoms and molecules

TL;DR: In this paper, a review of current studies in density functional theory and density matrix functional theory is presented, with special attention to the possible applications within chemistry, including the concept of an atom in a molecule, calculation of electronegativities from the Xα method, pressure, Gibbs-Duhem equation, Maxwell relations and stability conditions.
Journal ArticleDOI

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

TL;DR: A software package for the analysis of X-ray absorption spectroscopy (XAS) data is presented, based on the IFEFFIT library of numerical and XAS algorithms and is written in the Perl programming language using the Perl/Tk graphics toolkit.
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