Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory

Maciej Kołaski, Anupriya Kumar, N. Jiten Singh, Kwang S. Kim
  • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry
  • DOI: 10.1039/c003008b
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