Journal
CHEMICAL COMMUNICATIONS
Volume 53, Issue 58, Pages 8207-8210Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7cc04182a
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Funding
- CAPES from Brazil [PROBRAL 435/15]
- FAPESP from Brazil
- DAAD PROBRAL [57143062, 5735014]
- Deutsche Forschungsgemeinschaft (DFG) [EXC 315, FOR 1878]
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Based on density functional theory calculations combined with experimental results, we report and discuss an extremely distorted, inverted'' adsorption geometry of free-base tetraphenylporphyrin on Cu(111). The current findings yield new insights into a wellstudied system, shedding light on the peculiar molecule-substrate interaction and the resulting intramolecular conformation.
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