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AB Initio study of reversible hydrogen storage in metal decorated Calix[4]arenes and porous materials
Kumar, S.
(
2019-11-11
)
First principles study of reversible hydrogen adsorption in metal functionalized molecular systems
Sathe, R.Y.
(
2020-12-03
)
AB Initio study of reversible hydrogen storage in metal decorated CALIX[4]ARENES and porous materials
Kumar, S.
(
2021-09-07
)
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Author
Kumar, S. (2)
Sathe, R.Y. (1)
Subject
Adsorption energy (3)
Conceptual DFT (3)
Density functional theory (3)
Desorption energy (3)
Dewar coordination (3)
Hirshfeld charge analysis (3)
Hydrogen adsorption (3)
Hydrogen storage materials (3)
Kubas mechanism (3)
Occupation number (3)
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Date Issued
2021 (1)
2020 (1)
2019 (1)