Raman and computational study of solvation and chemisorption of thiazole in silver hydrosol
Maurizio Muniz-Miranda1, Marco Pagliai, Francesco Muniz-Miranda
1Dipartimento di Chimica Ugo Schiff, via della Lastruccia 3, 50019 Sesto Fiorentino (FI), Italy. muniz@unifi.it
Chemical Communications (Cambridge, England)
|January 27, 2011
Abstract:
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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