The dynamics and spectroscopic fingerprint of hydroxyl radical generation through water dimer ionization: ab initio molecular dynamic simulation study†
Abstract
Water
* Corresponding authors
a
Department of Chemistry, National Taiwan Normal University, Taipei 10677, Taiwan
E-mail:
mktsai@ntnu.edu.tw
b
Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan
E-mail:
jlkuo@pub.iams.sinica.edu.tw
c National Center for High-Performance Computing, Tainan 74147, Taiwan
d Department of Mechanical Engineering, Southern Taiwan University of Science and Technology, Tainan 71005, Taiwan
Water
M. Tsai, J. Kuo and J. Lu, Phys. Chem. Chem. Phys., 2012, 14, 13402 DOI: 10.1039/C2CP42331F
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