https://www.selleckchem.com/pr....oducts/golvatinib-e7
10-15 mol L-1, which indicates the possibility of analytical applications in the detection of analytes such as pesticides. The Raman response of the YAlO3 (YAP) perovskite is modeled by means of periodic density functional theory. A number of different approximations to the exchange-correlation functional are benchmarked against the structural and spectroscopic data as imposing all-electron Gaussian-type basis sets. The WC1LYP functional was found to be superior, particularly outperforming other tested approaches in the predict
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