Raman and computational study of solvation and chemisorption of thiazole in silver hydrosol.
نویسندگان
چکیده
A SERS investigation combined with ab initio computational analysis involving Car-Parrinello molecular dynamics simulations and Density Functional Theory approach allows fundamental information to be obtained on the behaviour of thiazole in silver aqueous suspension where solvation and chemisorption processes competitively occur.
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ورودعنوان ژورنال:
- Chemical communications
دوره 47 11 شماره
صفحات -
تاریخ انتشار 2011