Electronic structure and excitations in oligoacenes from ab
initio calculations, E. S. Kadantsev, M. J. Stott, A. Rubio,
J. Chem. Phys. 124, 134901-134911 (2006)
abstract
|
Electronic transitions in the IR: Matrix isolation spectroscopy
and electronic structure theory calculations on polyacenes and
dibenzopolyacenes,
J. L. Weisman, A. Mattioda, T. J. Lee, D. M. Hudgins,
L. J. Allamandola, C. W. Bauschlicher, M. Head-Gordon,
Phys. Chem. Chem. Phys. 7, 109-118 (2005)
abstract
|
Substantial errors from time-dependent density functional theory
for the calculation of excited states of large pi systems,
S. Grimme, M. Parac,
Chem. Phys. Chem. 4, 292-295 (2003)
abstract
|
Benchmark theoretical study of the ionization threshold of
benzene and oligoacenes, M. S. Deleuze, L. Claes,
E. S. Kryachko, J.-P. Francois,
J. Phys. Chem. 119, 3106-3119 (2003)
abstract
|
Properties of some condensed aromatic systems,
K. B. Wiberg, J. Org. Chem. 62, 5720-5727 (1997)
abstract
|