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How do Water Solvent and Glutathione Ligands Affect the Structure and Electronic Properties of Au25(SR)18-?

Research output: Contribution to journalArticleScientificpeer-review

Details

Original languageEnglish
Pages (from-to)3859-3865
Number of pages7
JournalJournal of Physical Chemistry Letters
Volume6
Issue number19
DOIs
Publication statusPublished - 1 Oct 2015
Publication typeA1 Journal article-refereed

Abstract


ASJC Scopus subject areas

Keywords

  • Car-Parrinello molecular dynamics, density functional theory, HOMO-LUMO gap, quantum mechanics/molecular mechanics, thiolate monolayer-protected gold clusters

Publication forum classification

Field of science, Statistics Finland