Question: In the context of ab initio quantum chemistry calculations, how does the selection of the basis set and the level of electron correlation affect the accuracy of computed molecular properties, such as the energy, geometry, and vibrational frequencies of a complex transition metal complex

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ISBN:9781305957404
Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
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Question: In the context of ab initio quantum chemistry calculations, how does the selection of the basis set and the level of electron correlation affect the accuracy of computed molecular properties, such as the energy, geometry, and vibrational frequencies of a complex transition metal complex? 

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