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. © 2011 Royal Society of Chemistry.
Raman and computational study of solvation and chemisorption of thiazole in silver hydrosol / Muniz Miranda, Maurizio; Pagliai, Marco; Muniz Miranda, Francesco; Schettino, Vincenzo. - In: CHEMICAL COMMUNICATIONS. - ISSN 1359-7345. - 47:11(2011), pp. 3138-3140. [10.1039/c0cc05217e]
Raman and computational study of solvation and chemisorption of thiazole in silver hydrosol
Muniz Miranda Francesco;
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. © 2011 Royal Society of Chemistry.
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