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H2 storage and equilibrium isotope effect for Be,Li, and Ti-doped closoborate complexes |
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| Authors: | Konda Ravinder Solimannejad Mohammad Chaudhari Ajay |
| Institution: | 1.Department of Physics, The Institute of Science, Dr. Homi Bhabha State University, Mumbai, 400032, India ;2.Department of Chemistry, Faculty of Science, Arak University, Arak, 38156-8-8349, Iran ; |
| Abstract: | Structural Chemistry - This work reports hydrogen uptake capacity and equilibrium isotope effect (EIE) for the Be, Li, and Ti-doped closoborate (B6H6) complexes using first-principles calculations... |
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