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TD-DFT calculations were performed with the B3LYP functional and the 6-31G** basis set employing the Gaussian03 suite of programs. Starting with the X-ray geometries, the structures were optimized by energy minimization
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TD-DFT calculations were performed with the B3LYP functional and the 6-31G** basis set employing the Gaussian03 suite of programs. Starting with the X-ray geometries, the structures were optimized by energy minimization
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Linear Coherent Light Source
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