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Egbert Zojer
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Density-functional theory with screened van der Waals interactions for the modeling of hybrid inorganic-organic systems
VG Ruiz, W Liu, E Zojer, M Scheffler, A Tkatchenko
Physical review letters 108 (14), 146103, 2012
5962012
The interface energetics of self-assembled monolayers on metals
G Heimel, L Romaner, E Zojer, JL Bredas
Accounts of Chemical Researchc 41 (6), 721-729, 2008
4522008
Role of dimensionality on the two‐photon absorption response of conjugated molecules: the case of octupolar compounds
D Beljonne, W Wenseleers, E Zojer, Z Shuai, H Vogel, SJK Pond, ...
Advanced Functional Materials 12 (9), 631-641, 2002
4382002
Toward control of the metal− organic interfacial electronic structure in molecular electronics: A first-principles study on self-assembled monolayers of π-conjugated molecules …
G Heimel, L Romaner, E Zojer, JL Brédas
Nano letters 7 (4), 932-940, 2007
3202007
Interface Energetics and Level Alignment at Covalent Metal-Molecule Junctions: -Conjugated Thiols on Gold
G Heimel, L Romaner, JL Brédas, E Zojer
Physical Review Letters 96 (19), 196806, 2006
3132006
Van der Waals interactions between organic adsorbates and at organic/inorganic interfaces
A Tkatchenko, L Romaner, OT Hofmann, E Zojer, C Ambrosch-Draxl, ...
MRS bulletin 35 (6), 435-442, 2010
3092010
The origin of green emission in polyfluorene‐based conjugated polymers: On‐chain defect fluorescence
L Romaner, A Pogantsch, P Scandiucci de Freitas, U Scherf, M Gaal, ...
Advanced functional materials 13 (8), 597-601, 2003
2932003
Metal-ion sensing fluorophores with large two-photon absorption cross sections: aza-crown ether substituted donor− acceptor− donor distyrylbenzenes
SJK Pond, O Tsutsumi, M Rumi, O Kwon, E Zojer, JL Brédas, SR Marder, ...
Journal of the American Chemical Society 126 (30), 9291-9306, 2004
2632004
Impact of bidirectional charge transfer and molecular distortions on the electronic structure of a metal-organic interface
L Romaner, G Heimel, JL Brédas, A Gerlach, F Schreiber, RL Johnson, ...
Physical review letters 99 (25), 256801, 2007
2442007
Extended squaraine dyes with large two-photon absorption cross-sections
SJ Chung, S Zheng, T Odani, L Beverina, J Fu, LA Padilha, A Biesso, ...
Journal of the American Chemical Society 128 (45), 14444-14445, 2006
2402006
Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag (111), Au (111) and Cu (111)
L Romaner, D Nabok, P Puschnig, E Zojer, C Ambrosch-Draxl
New Journal of Physics 11 (5), 053010, 2009
2332009
Scandiucci de Freitas, P.; Scherf, U.; List
E Zojer, A Pogantsch, E Hennebicq, D Beljonne, JL Brédas
J. Chem. Phys 117, 6794, 2002
1932002
Two-photon absorption at telecommunications wavelengths in a dipolar chromophore with a pyrrole auxiliary donor and thiazole auxiliary acceptor
L Beverina, J Fu, A Leclercq, E Zojer, P Pacher, S Barlow, ...
Journal of the American Chemical Society 127 (20), 7282-7283, 2005
1802005
Organic/metal interfaces in self-assembled monolayers of conjugated thiols: A first-principles benchmark study
G Heimel, L Romaner, JL Brédas, E Zojer
Surface science 600 (19), 4548-4562, 2006
1542006
Tuning the two-photon absorption response of quadrupolar organic molecules
E Zojer, D Beljonne, T Kogej, H Vogel, SR Marder, JW Perry, JL Bredas
The Journal of chemical physics 116 (9), 3646-3658, 2002
1502002
Pyrroline chromophores for electro-optics
SH Jang, J Luo, NM Tucker, A Leclercq, E Zojer, MA Haller, TD Kim, ...
Chemistry of materials 18 (13), 2982-2988, 2006
1472006
Aromatic amines: a comparison of electron-donor strengths
O Kwon, S Barlow, SA Odom, L Beverina, NJ Thompson, E Zojer, ...
The Journal of Physical Chemistry A 109 (41), 9346-9352, 2005
1452005
Resonant enhancement of two-photon absorption in substituted fluorene molecules
JM Hales, DJ Hagan, EW Van Stryland, KJ Schafer, AR Morales, ...
The Journal of chemical physics 121 (7), 3152-3160, 2004
1432004
Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally tuned range-separated hybrid functional
DA Egger, S Weissman, S Refaely-Abramson, S Sharifzadeh, M Dauth, ...
Journal of chemical theory and computation 10 (5), 1934-1952, 2014
1412014
Breakdown of the mirror image symmetry in the optical absorption/emission spectra of oligo(para-phenylene)s
G Heimel, M Daghofer, J Gierschner, EJW List, AC Grimsdale, K Müllen, ...
The Journal of chemical physics 122 (5), 054501, 2005
1402005
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