Structural properties of LITHIUM METAPHOSPHATE (cas 13762-75-9) glasses by ab initio molecular electronic structure calculations
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Add time:09/29/2019 Source:infona.pl
Following a theoretical determination of cluster-models for LITHIUM METAPHOSPHATE (cas 13762-75-9) glass, a theoretical method for the prediction of structural data such as radial and bond distribution functions is presented. These are calculated and compared to experimental data for this particular glass. Useful conclusions are drawn regarding the general use of molecular electronic structure methods for the determination of the structure of glasses.
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