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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Time dependent quantum dynamics study of the Ne + H2+(v=0-4)-->NeH+ + H proton transfer reaction

Jordi Mayneris1, José Daniel Sierra, Miguel González

  • 1Departament de Química Física i IQTC, Universitat de Barcelona, C/Martí i Franquès I, 08028 Barcelona, Spain.

The Journal of Chemical Physics
|May 27, 2008
PubMed

Keywords:
quantum dynamicsproton transferwave packet methodchemical reaction modeling

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