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Adsorption of multivalent alkylthiols on Au(111) surface: insights from DFT

Edoardo Fertitta1, Elena Voloshina, Beate Paulus

  • 1Institut für Chemie und Biochemie-Physikalische und Theoretische Chemie, Freie Universität Berlin, Takustr. 3, D-14195, Berlin, Germany.

Journal of Computational Chemistry
|November 19, 2013
PubMed

Keywords:
Au (111)ab initioadsorptiondensity functional theorymultivalencethiols

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