X-ray spectroscopy of blocked alanine in water solution from supermolecular and supermolecular-continuum solvation models: a first-principles study

Weijie Hua, Yue-Jie Ai, Bin Gao, Hongbao Li, Hans Ågren, Yi Luo
  • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2cp40732a
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