First principle study of reversible hydrogen storage in Sc grafted Calix[4]arene and Octamethylcalix[4]arene

Published 2019 View Full Article

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Title
First principle study of reversible hydrogen storage in Sc grafted Calix[4]arene and Octamethylcalix[4]arene
Authors
Keywords
Reversible hydrogen storage, Dewar coordination, Kubas interaction, Molecular dynamics
Journal
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 44, Issue 10, Pages 4889-4896
Publisher
Elsevier BV
Online
2019-01-25
DOI
10.1016/j.ijhydene.2018.12.188

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