Hydrogen Adsorption on Lithium-Functionalized Calixarenes: A Computational Study
作者： Natarajan Sathiyamoorthy Venkataramanan , Ryoji Sahara , Hiroshi Mizuseki , Yoshiyuki Kawazoe
DOI: 10.1021/JP808899T
关键词:
摘要: … We have investigated the hydrogen adsorption of Li-functionalized calixarene using DFT … Each Li-functionalized calixarene molecules was found to hold four hydrogen molecules …
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