Qualitative and quantitative study of intermolecular weak interactions for benzoic acid and anisic acid using terahertz spectroscopy combined with DFT
This article employs terahertz time-domain spectroscopy (THz-TDS) to measure the terahertz absorption spectra of benzoic acid and anisic acid within the frequency range of 0.6-2.4 THz. Simultaneously, under the framework of density functional theory (DFT), the B3LYP-D3 method and the M06-2X method w...
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| Huvudupphov: | , , |
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| Materialtyp: | Artigo |
| Språk: | Inglês |
| Utgiven: |
Sociedade Brasileira de Química
2026-03-01
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| Serie: | Química Nova |
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| Länkar: | http://www.scielo.br/pdf/qn/v49/0100-4042-qn-49-e-20260014.pdf |
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