A quantum description of the proton movement in an idealized NHN+ bridge†
Abstract
A series of model calculations was done to analyze the delocalization of the
* Corresponding authors
a
Department of Chemistry, National Tsing Hua University, 101 KuangFu Road Sec.2, HsinChu 30013, Taiwan
E-mail:
lankau@oxygen.chem.nthu.edu.tw, chyu@oxygen.chem.nthu.edu.tw
Fax: +886-3-5711082
Tel: +886-3-5715131-33414
A series of model calculations was done to analyze the delocalization of the
T. Lankau and C. Yu, Phys. Chem. Chem. Phys., 2011, 13, 12758 DOI: 10.1039/C0CP02172E
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