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- W1738452 abstract "Ab initio calculations for extracting structural information are of importance for several reasons. Firstly, we need calculated amplitudes and phases for those situations where reliable standards are not available. Secondly, the calculations should provide absolute parameters rather than relative values. Thirdly, they continue to give insight into the important physical processes involved in EXAFS. Prior to using ab initio calculations in structural determinations, it is important to have some guidelines within which we can trust the results." @default.
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- W1738452 date "1983-01-01" @default.
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- W1738452 title "The Reliability of ab initio Calculations in Extracting Structural Information from EXAFS" @default.
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- W1738452 doi "https://doi.org/10.1007/978-3-642-50098-5_10" @default.
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