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Issue Date
Title
Author(s)
11-Nov-2019
AB Initio study of reversible hydrogen storage in metal decorated Calix[4]arenes and porous materials
Kumar, S.
7-Sep-2021
AB Initio study of reversible hydrogen storage in metal decorated CALIX[4]ARENES and porous materials
Kumar, S.
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Subject
2
Born- Openheimer molecular dynami...
2
Dewar coordination
2
Global reactivity index
2
Kubas mechanism
2
Niu-Rao-Jena charge polarization
2
Occupation number
1
Desorption temperature
1
Electrostatic potential map
1
Electrostatic potential map, Deso...
1
Metal-inorganic framework
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Date issued
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2021
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2019