New Route to Local Order Models for Disordered Crystalline Materials: Diffuse Scattering and Computational Modeling of Phloroglucinol Dihydrate
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https://figshare.com/articles/dataset/New_Route_to_Local_Order_Models_for_Disordered_Crystalline_Materials_Diffuse_Scattering_and_Computational_Modeling_of_Phloroglucinol_Dihydrate/2646202
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资源简介：
A new, readily tractable route to determining short-range order models for materials exhibiting occupational disorder and diffuse scattering using first-principles solid-state quantum mechanical calculations is presented and illustrated with application to the disordered, layered molecular material phloroglucinol dihydrate.
创建时间：
2016-02-23
