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Title: sedaxane_trans_CONF29_octanol
Authors: Pulgar Rubio, Antonio
Issue Date: 27-Mar-2025
Publisher: Barcelona Supercomputing Center
Description: Gaussian set of calculations with B3LYP of sedaxane_trans CONF29 in octanol
URI: https://iochem-bd.bsc.es/browse/handle/100/423764
Appears in Collections:C_fungicides - DOI: 10.19061/iochem-bd-6-514



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/423764

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