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Gaussian 16 was used, employing the XQC convergence criteria, to calculate partial charges for the Cu ions and their surrounding histidine coordinating atoms at the B3LYP/6-31G* level 54
Emsley P, Cowtan K
This product is intended for research and laboratory use only
Research has investigated its role as a major antioxidant, electrophile scavenger and substrate for glutathione peroxidase and glutathione S-transferase enzymes in oxidative stress and detoxification pathways
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