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Structure identification methods for atomistic simulations of crystalline materials
Structure identification methods atomistic simulations crystalline materials
2012/2/24
We describe a new computational analysis technique to identify lattices and structural defects in large-scale atomistic computer simulations of crystalline materials. Our approach is based on a user-s...
Antioxidant Mechanism Studies on Ferulic Acid : Isolation and Structure Identification of the Main Antioxidation Product from Methyl Ferulate
ferulic acid antioxidant reaction radical scavenging scavenging
2009/5/31
As a part of our research project on the elucidation of the chain-breaking antioxidant mechanism of natural phenolic compounds in food components, ferulic acid, a phenolic acid widely distributed in e...