Article ID Journal Published Year Pages File Type
5373960 Chemical Physics 2013 4 Pages PDF
Abstract

- We analyze nuclear quantum effects on hydrogen bonds around the chromophore in the photoactive yellow protein.
- Multi-component density functional theory is used to analyze the H/D isotope effect on hydrogen bond distances.
- The donor-acceptor distance in the hydrogen bonds are elongated by the deuterium substitution.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical analysis of the geometrical isotope effect on the hydrogen bonds in photoactive yellow protein with multi-component density functional theory
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