The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building

François-Yves Dupradeau, Adrien Pigache, Thomas Zaffran, Corentin Savineau, Rodolphe Lelong, Nicolas Grivel, Dimitri Lelong, Wilfried Rosanski, Piotr Cieplak
  • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry
  • DOI: 10.1039/c0cp00111b
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