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Predicting paramagnetic 1H NMR chemical shifts and state-energy separations in spin-crossover host-guest systems

Electronic Structure - Modeling Properties

Publication Details

  • Authors: W. C. Isley III, S. Zarra, R. K. Carlson, R. A. Bilbeisi, T. K. Ronson, J. R. Nitschke, L. Gagliardi, and C. J. Cramer
  • Publication Number: 179
  • Year: 2014
  • Journal: Phys. Chem. Chem. Phys.
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Full Citation

W. C. Isley III, S. Zarra, R. K. Carlson, R. A. Bilbeisi, T. K. Ronson, J. R. Nitschke, L. Gagliardi, and C. J. Cramer, Predicting paramagnetic 1H NMR chemical shifts and state-energy separations in spin-crossover host-guest systems, Phys. Chem. Chem. Phys., 2014, 16, 10620–10628. DOI: 10.1039/C4CP01478B