Investigation on the key features of L-Histidinium 2-nitrobenzoate (LH2NB) for optoelectronic applications: A comparative study
The current work is to highlight the fundamental acumen about the molecular structure, photophysical and static first hyperpolarizability (β) of L-Histidinium 2-nitrobenzoate (LH2NB) organic molecule for the first time. Hartree–Fock (HF) and density functional theory (DFT) has been applied using dif...
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| Format: | Article |
| Language: | English |
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Elsevier
2017-01-01
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| Series: | Journal of King Saud University: Science |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S1018364715300616 |