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Title: /Vibrational_frequencies p-hydroxy_Benzaldehyde_(raman,_internal)_PBE0_6-311++G(2d,2p)_-_
Authors: Nicolaou, Michael
Issue Date: 9-Oct-2025
Publisher: University of Glasgow
Abstract: Bond vibrational frequency (IR, Raman) calculation of optimised p-hydroxy benzaldehyde structure using PBE0/6-311++G(2d,2p), no solvation.
URI: https://iochem-bd.bsc.es/browse/handle/100/479319
Appears in Collections:Vanillin_benchmark - DOI: 10.19061/iochem-bd-6-283

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