Spectroscopic, optical, electronic and NLO characteristics of long chain tosyloxy based chalcone derivative: a quantum chemical approach
Abstract This study presents a comprehensive computational investigation of “4- [(1E)-3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl]phenyl 4-methyl benzene-1-sulfonate” (COP) molecule. Key parameters explored include the geometric optimized structure, spectroscopic, vibrational modes, natural bond orbital...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Springer
2025-08-01
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| Series: | Discover Chemistry |
| Subjects: | |
| Online Access: | https://doi.org/10.1007/s44371-025-00257-1 |
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