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Comparative QM/MM studies of H2 adsorption on lithium doped single walled armchair and zigzag nanotubes: SiCNT,GeCNT, and SnCNT |
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| Authors: | Pabitra Narayan Samanta Kalyan Kumar Das |
| Institution: | Department of Chemistry, Physical Chemistry Section, Jadavpur University, Kolkata, India |
| Abstract: | |
| Keywords: | electrostatic potential hydrogen storage lithium doped nanotubes ONIOM2 projected density of states |