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Fundamental study of catalytic mechanism in complex metal hydride and METAL-BN-FRAMEWORK for hydrogen stotage
Samolia, M.
(
2016-12-15
)
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)
Samolia, M. (1)
Sathe, R.Y. (1)
Subject
Conceptual DFT (4)
Density functional theory (4)
Hydrogen adsorption (4)
Hydrogen storage materials (4)
Adsorption energy (3)
Desorption energy (3)
Desorption temperature (3)
Dewar coordination (3)
Hirshfeld charge analysis (3)
Kubas mechanism (3)
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Date Issued
2021 (1)
2020 (1)
2019 (1)
2016 (1)