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Effects of Zero-Point and Thermal Vibrational Averaging on Computed NMR Properties of a Model Compound for Purine

Jeffrey N Woodford1,2, Gerard S Harbison1,2

  • 1Department of Chemistry and Biochemistry, Eastern Oregon University, One University Boulevard, La Grande, Oregon 97850-2899.

Journal of Chemical Theory and Computation
|December 3, 2015
PubMed

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