Browsing 2018 by Author "Della, T D"

Now showing items 1-3 of 3

A Noncovalent Binding Strategy to Capture Noble Gases, Hydrogen and Nitrogen

Suresh, C H; Neetha Mohan; Della, T D (Wiley, 2018-06-05)

A molecular design strategy to develop receptor systems for the entrapment of noble gases, H2 and N2 is described using M06L-D3/6-31111G(d,p)//M06L/6-31111G(d,p) DFT method. These receptors made with two-, three-, four- ...
Sumanene: An Efficient Pi-Bowl for Dihydrogen Storage

Della, T D; Suresh, C H (Royal Society of Chemistry, 2018-02-01)

Density functional theory calculations at the M06L/6-311++G(d,p) level show that sumanene (Su), a polycyclic aromatic p-bowl, and its anionic forms possess high dihydrogen binding affinity. The dihydrogen rich systems such ...
Sumanene: an efficient π-bowl for dihydrogen storage

Della, T D; Suresh, C H (Royal Society of Chemistry, 2018-02-28)

Density functional theory calculations at the M06L/6-311++G(d,p) level show that sumanene (Su), a polycyclic aromatic π-bowl, and its anionic forms possess high dihydrogen binding affinity. The dihydrogen rich systems such ...

Now showing items 1-3 of 3

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