| 1 |
A comparative theoretical study on DMABN: Significance of excited state optimized geometries and direct comparison of methodologies
Parusel ABJ, Rettig W, Sudholt W
Journal of Physical Chemistry A, 106(5), 804, 2002 |
| 2 |
Spectroscopic and theoretical studies of 6-N,N-dimethyladenine
Parusel ABJ, Rettig W, Rotkiewicz K
Journal of Physical Chemistry A, 106(10), 2293, 2002 |
| 3 |
Excited state intramolecular charge transfer in N,N-heterocyclic-4-aminobenzonitriles: a DFT study
Parusel ABJ
Chemical Physics Letters, 340(5-6), 531, 2001 |
| 4 |
Density functional theory based configuration interaction calculations on the electronic spectra of free-base porphyrin, chlorin, bacteriochlorin, and cis- and trans-isobacteriochlorin
Parusel ABJ, Ghosh A
Journal of Physical Chemistry A, 104(11), 2504, 2000 |
| 5 |
A theoretical study of the excited states of chlorophyll a and pheophytin a
Parusel ABJ, Grimme S
Journal of Physical Chemistry B, 104(22), 5395, 2000 |
| 6 |
Do nonplanar porphyrins have red-shifted electronic spectra? A DFT/SCI study and reinvestigation of a recent proposal
Parusel ABJ, Wondimagegn T, Ghosh A
Journal of the American Chemical Society, 122(27), 6371, 2000 |
| 7 |
Electronic structure of gallium, copper, and nickel complexes of corrole. High-valent transition metal centers versus noninnocent ligands
Ghosh A, Wondimagegn T, Parusel ABJ
Journal of the American Chemical Society, 122(21), 5100, 2000 |
| 8 |
A coupled-cluster analysis of the electronic excited states in aminobenzonitriles
Parusel ABJ, Kohler G, Nooijen H
Journal of Physical Chemistry A, 103(20), 4056, 1999 |
| 9 |
Density functional study of excited charge transfer state formation in 4-(N,N-dimethylamino)benzonitrile
Parusel ABJ, Kohler G, Grimme S
Journal of Physical Chemistry A, 102(31), 6297, 1998 |
| 10 |
Comparative theoretical study on charge-transfer fluorescence probes : 6-propanoyl-2-(N,N-dimethylamino)naphthalene and derivatives
Parusel ABJ, Nowak W, Grimme S, Kohler G
Journal of Physical Chemistry A, 102(36), 7149, 1998 |
