New class of metal bound molecular switches involving H-tautomerism.

@article{Simpson2014NewCO,
  title={New class of metal bound molecular switches involving H-tautomerism.},
  author={Grant J Simpson and Simon W. L. Hogan and Marco Caffio and Christopher J. Adams and Herbert A. Fr{\"u}chtl and Tanja van Mourik and Renald Schaub},
  journal={Nano letters},
  year={2014},
  volume={14 2},
  pages={634-9}
}
A potential end-point in the miniaturization of electronic devices lies in the field of molecular electronics, where molecules perform the function of single components. To date, hydrogen tautomerism in unimolecular switches has been restricted to the central macrocycle of porphyrin-type molecules. The present work reveals how H-tautomerism is the mechanism for switching in substituted quinone derivatives, a novel class of molecules with a different chemical structure. We hence reveal that the… CONTINUE READING

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Classical and Quantum Dynamics in Condensed Phase Simulations Ch. 8 ‘Nudged Elastic Band Method for Finding Minimum Energy Paths of Transitions

H. Jónsson, G. Mills, K. W. Jacobsen
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