Assessment of density functional approximations for the hemibonded structure of the water dimer radical cation

Piin-Ruey Pan, You-Sheng Lin, Ming-Kang Tsai, Jer-Lai Kuo, Jeng-Da Chai
  • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2cp41116d
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