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Pritchard, Benjamin P.; Simpson, Scott; Zurek, Eva; Autschbach, Jochen – Journal of Chemical Education, 2014
A computational experiment investigating the [superscript 1]H and [superscript 13]C nuclear magnetic resonance (NMR) chemical shifts of molecules with unpaired electrons has been developed and implemented. This experiment is appropriate for an upper-level undergraduate laboratory course in computational, physical, or inorganic chemistry. The…
Descriptors: Science Instruction, College Science, Undergraduate Study, Molecular Structure