Article ID Journal Published Year Pages File Type
5374644 Chemical Physics 2011 9 Pages PDF
Abstract
► We studied the interactions of iron clusters with benzene molecules. ► We have used density functional theory based methods for Fe4 and benzene. ► The physicochemical properties were determined for the ground states. ► The ground state structures for the Fe4-benzene species were determined.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Rice-ball structures of iron-benzene clusters, Fe4-(C6H6)m, m ⩽ 3. A density functional study
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