Ab initio and force field investigations of physical hydrogen adsorption in Zeolitic Imidazole Frameworks

Recent theoretical calculations and experiments have considered that metal-organic frameworks are promising for storing molecular hydrogen (H2). Optimizing the geometry and the interaction energy of storing for enormous H2 storage is of great current interest. In this work, we used specific category...

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Bibliographic Details
Main Author: Alqahtani, Huda
Published: Cardiff University 2018
Subjects:
Online Access:https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.761297