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- W1595648242 abstract "The recently proposed close-packed motif for collagen is investigated using first principles semi-empirical wave function theory and Kohn-Sham density functional theory. Under these refinements the close-packed motif is shown to be stable. For the case of the 7/2 motif a similar stability exists. The electronic circular dichroism of the close-packed model has a significant negative bias and a large signal. An interesting feature of the close-packed structure is the existence of a central channel. Simulations show that, if hydrogen atoms are placed in the cavity, a chain of molecular hydrogens is formed suggesting a possible biological function for molecular hydrogen." @default.
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- W1595648242 date "2012-05-01" @default.
- W1595648242 modified "2023-09-27" @default.
- W1595648242 title "First principles structures and circular dichroism spectra for the close-packed and the 7/2 motif of collagen" @default.
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