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Detection of nitrobenzene using transition metal doped C24: A DFT study |
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| Authors: | Paul Debolina Vaidyanathan Antara Sarkar Utpal Chakraborty Brahmananda |
| Affiliation: | 1.Department of Physics, Assam University, Silchar, 788011, India ;2.Department of Chemistry, Ramnarain Ruia Autonomous College, Mumbai, 400019, India ;3.High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai, 400085, India ;4.Homi Bhabha National Institute, Mumbai, 400085, India ; |
| Abstract: | Structural Chemistry - First principles calculations have been used to verify the ability for sensing nitrobenzene by the host systems, pristine C24 and transition metal (TM) doped C24, viz.,... |
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