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First principles study of reversible hydrogen adsorption in metal functionalized molecular systems
Sathe, R.Y.
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2020-12-03
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Sathe, R.Y. (1)
Subject
[n,n]paracyclophane (1)
Adsorption energy (1)
Atom density matrix propagation (1)
BN analogue (1)
Born-Oppenheimer molecular dynamic (1)
C24 fullerene (1)
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Date Issued
2020 (1)