Theoretical calculation of the adiabatic electron affinities of the monosubstituted benzaldehyde derivatives
In the current study, several computational models were examined to calculate accurate adiabatic electron affinity (AEA) of twelve m- and p-monosubstituted benzaldehyde derivatives. The examined models are as follows: (i) composite high-level ab initio (G3B3, G4, CBS-Q, and CBS-QB3), (ii) Three hybr...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-07-01
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| Series: | Journal of King Saud University: Science |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1018364723001817 |