Optimization, First-Order Hyperpolarizability Studies of <i>o</i>, <i>m</i>, and <i>p</i>-Cl Benzaldehydes Using DFT Studies
In this paper, we first optimized the structures of Cl benzaldehydes using Gaussian 09 software with the B3LYP/631-G’ (d,p) basis set. The title compound’s polarizability and hyperpolarizabilities values have been computed, along with an examination of its nonlinear optical characteristics. The titl...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-11-01
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| Series: | Chemistry Proceedings |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-4583/14/1/92 |
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