Direct ab initio MD study on the interaction of hydroperoxy radical (HOO) with water molecules†
Abstract
Structures and electronic states of the
* Corresponding authors
a
Division of Molecular Chemistry, Graduate School of Engineering, Hokkaido University, Sapporo 060-8628, Japan
E-mail:
hiroto@eng.hokudai.ac.jp
Fax: +81 11706-7897
b Department of Biomedical, Dental Medicals and Engineering, Graduate School of Dental Medicine, Hokkaido University, Sapporo 060-8586, Japan
Structures and electronic states of the
H. Tachikawa and S. Abe, Phys. Chem. Chem. Phys., 2010, 12, 3904 DOI: 10.1039/B923310E
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