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Title: /Scaling_factors CO2_(opt-freq)_-_B3LYP_6-311++G(2d,2p)_No_solvation
Authors: Nicolaou, Michael
Issue Date: 14-Sep-2023
Publisher: Barcelona Supercomputing Center
Description: Geometry optimisation and vibrational frequency calculation of CO2 using B3LYP/6-311++G(2d,2p), no solvation.
URI: https://iochem-bd.bsc.es/browse/handle/100/308430
Appears in Collections:Vanillin_benchmark - DOI: 10.19061/iochem-bd-6-283

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