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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Realistic quantitative descriptions of electron transfer reactions: diabatic free-energy surfaces from

P H-L Sit1, Matteo Cococcioni, Nicola Marzari

  • 1Department of Physics, Massachusetts Institute of Technology, Cambridge, 02139, USA.

Physical Review Letters
|August 16, 2006
PubMed

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