Article ID Journal Published Year Pages File Type
5373980 Chemical Physics 2013 4 Pages PDF
Abstract
► We investigate the electronic structure of the chromophore in PYP. ► The potential energy curve along the proton migration between Glu46 and the chromophore was analyzed. ► We find that a LBHB can be seen only when Arg52 is deprotonated.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A theoretical study on the electronic structure of PYP chromophore in low barrier hydrogen bonding model
Authors
, ,