Now showing items 21-22 of 22
Communication: Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals
(Georgia Institute of Technology, 2011-10)
Long-range corrected hybrids represent an increasingly popular class of functionals for density functional theory (DFT) that have proven to be very successful for a wide range of chemical applications. In this Communication, ...
A theoretical view on self-assembled monolayers in organic electronic devices
(Georgia Institute of Technology, 2008-04)
Self-assembled monolayers (SAMs) of covalently bound organic molecules are rapidly becoming an integral part of organic electronic devices. There, SAMs are employed to tune the work function of the inorganic electrodes in ...