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Title: mefentrifluconazole_CONF149_water
Authors: Pla Terrada, Paula
Issue Date: 21-Dec-2021
Publisher: Barcelona Supercomputing Center
Description: Gaussian set of calculations with B3LYP of mefentrifluconazole CONF149 in water
URI: https://iochem-bd.bsc.es/browse/handle/100/202987
Appears in Collections:G1_triazoles - DOI: 10.19061/iochem-bd-6-121



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/202987

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