Optical properties of Ag$_29$(BDT)$_12$(TPP)$_4$ in the VIS and UV and influence of ligand modeling based on real-time electron dynamics

TitleOptical properties of Ag$_29$(BDT)$_12$(TPP)$_4$ in the VIS and UV and influence of ligand modeling based on real-time electron dynamics
Publication TypePalaiseau Article
Acknowledgements

ANR-11-IDEX-0001-02, ANR-14-CE08-0009, GENCI-IDRIS (Grant 2018-096829)

DOI10.1007/s00214-021-02783-4
Sinha-Roy, R, López-Lozano, X, Whetten, RL, Weissker, H-C
Year of Publication2021
JournalTheoretical Chemistry Accounts
Volume140
URLhttps://doi.org/10.1007/s00214-021-02783-4
Keywordspaper