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  • Miroslav Hodak, Wenchang Lu, Jerzy Bernholc
  • Chemistry, Medicine
  • The Journal of chemical physics
  • 2008 (First Published: 7 January 2008)
  • A hybrid computational method intended for simulations of biomolecules in solution is described. The ab initio Kohn-Sham (KS) density functional theory (DFT) method is used to describe the chemicallyContinue Reading