Unraveling the NLO potential of isoquinoline functionalized chromophores via molecular modeling using DFT/TD-DFT approaches
Abstract The main focused of this work is the designing of isoquinoline-based derivatives through structural modeling of synthesized compound (BPDI). Two distinct series of derivatives were developed: MPBID1–MPBID6, in which electron-withdrawing groups were introduced at unfused phenyl ring on isoqu...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-025-04911-7 |
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