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Direct linkWilliams, Darren L.; Flaherty, Thomas J.; Alnasleh, Bassam K. – Journal of Chemical Education, 2009
A concise roadmap for using computational chemistry programs (i.e., Gaussian 03W) to predict the color of a molecular species is presented. A color-predicting spreadsheet is available with the online material that uses transition wavelengths and peak-shape parameters to predict the visible absorbance spectrum, transmittance spectrum, chromaticity…
Descriptors: Prediction, Chemistry, Science Instruction, Computation
