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Title: /Vanillin_benchmark Vanillin_(freq)_-_M06-2X_6-311++G_-_No_solvation
Authors: Nicolaou, Michael
Issue Date: 14-Sep-2023
Publisher: Barcelona Supercomputing Center
Description: Bond vibrational frequency (IR, Raman) calculation of optimised Vanillin structure using M06-2X/6-311++G, no solvation.
URI: https://iochem-bd.bsc.es/browse/handle/100/308203
Appears in Collections:Vanillin_benchmark - DOI: 10.19061/iochem-bd-6-283

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Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/308203

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