SCC-DFTB energy barriers for single and double proton transfer processes in the model molecular systems malonaldehyde and porphycene

Ł. Walewski, D. Krachtus, S. Fischer, J. C. Smith, P. Bała, B. Lesyng
  • International Journal of Quantum Chemistry, January 2005, Wiley
  • DOI: 10.1002/qua.20810
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