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physics.chem-ph2018
Halogen-Bond Driven Self-Assembly of Perfluorocarbon Monolayers
Antonio Abate, Raphael Dehmel, Alessandro Sepe +7
The self-assembly of a single layer of organic molecules on a substrate is a powerful strategy to modify surfaces and interfacial properties. The detailed interplay of molecule-to-…
physics.chem-ph2016
First-principles photoemission spectroscopy of DNA and RNA nucleobases from Koopmans-compliant functionals
Ngoc Linh Nguyen, Giovanni Borghi, Andrea Ferretti +1
The need to interpret ultraviolet photoemission data strongly motivates the refinement of first-principles techniques able to accurately predict spectral properties. In this work w…