Now showing items 1-4 of 4
Integrated organic photovoltaic modules with a scalable voltage output
(Georgia Institute of Technology, 2006-12)
Efficient organic photovoltaic modules and cells have been fabricated based on a blend of poly(3-hexylthiophene) (P3HT) and a soluble C₇ ₀ derivative, [6,6]-phenyl C₇ ₁ butyric acid methyl ester (PCBM-70). Power conversion ...
Solvent effects on the vibronic one-photon absorption profiles of dioxaborine heterocycles
(Georgia Institute of Technology, 2005-11)
The vibronic profiles of one-photon absorption spectra of dioxaborine heterocycles in gas phase and solution have been calculated at the Hartree-Fock and density-functional-theory levels. The polarizable continuum model ...
The electronic structure of oxo-Mn(salen): Single-reference and multireference approaches
(Georgia Institute of Technology, 2006-04)
Using single- and multireference approaches we have examined many of the low-lying electronic states of oxo-Mn(salen), several of which have not been explored previously. Large complete-active-space self-consistent-field ...
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, ...