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Structural,Electronic and NLO Properties of 6-aminoquinoline: A DFT/TD-DFT Study |
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| Authors: | Pandey Nupur Mehata Mohan Singh Pant Sanjay Tewari Neeraj |
| Institution: | 1.Photophysics Laboratory, Department of Physics, Centre of Advanced Study, DSB Campus, Kumaun University, Nainital, 263002, Uttarakhand, India ;2.Laser Spectroscopy Laboratory, Department of Applied Physics, Delhi Technological University, Delhi-110042, India ;3.Physics Department, Lajpat Rai College, Sahibabad, Ghaziabad, 201005, U.P, India ; |
| Abstract: | Journal of Fluorescence - A computational study based on the DFT/TD-DFT approach was performed to explore various properties of 6-aminoquinoline (6AQ). The geometrical parameters, molecular... |
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