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JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals
Oleg A. Vydrov et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Work functions of self-assembled monolayers on metal surfaces by first-principles calculations
Paul C. Rusu et al.
PHYSICAL REVIEW B (2006)
Does the donor-acceptor concept work for designing synthetic metals? III. Theoretical investigation of copolymers between quinoid acceptors and aromatic donors
Ulrike Salzner et al.
JOURNAL OF MOLECULAR MODELING (2006)
Interface energetics and level alignment at covalent metal-molecule junctions:: π-conjugated thiols on gold
G Heimel et al.
PHYSICAL REVIEW LETTERS (2006)
The effect of multiple substituents on sandwich and T-Shaped π-π interactions
Ashley L. Ringer et al.
CHEMISTRY-A EUROPEAN JOURNAL (2006)
Magnitude of the CH/π interaction in the gas phase:: Experimental and theoretical determination of the accurate interaction energy in benzene-methane
K Shibasaki et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Design rules for donors in bulk-heterojunction solar cells -: Towards 10 % energy-conversion efficiency
MC Scharber et al.
ADVANCED MATERIALS (2006)
A strong regioregularity effect in self-organizing conjugated polymer films and high-efficiency polythiophene: fullerene solar cells
Y Kim et al.
NATURE MATERIALS (2006)
Intermolecular interaction between hexafluorobenzene and benzene: Ab initio calculations including CCSD(T) level electron correlation correction
S Tsuzuki et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
The electronic structure and optical properties of carbazole-based conjugated oligomers and polymers: A theoretical investigation
L Yang et al.
POLYMER (2006)
Electronic structure and properties of alternating donor-acceptor conjugated copolymers: 3,4-Ethylenedioxythiophene (EDOT) copolymers and model compounds
CL Pai et al.
POLYMER (2006)
Organic solar cells: An overview focusing on active layer morphology
Travis L. Benanti et al.
PHOTOSYNTHESIS RESEARCH (2006)
Optical properties of low band gap alternating copolyfluorenes for photovoltaic devices -: art. no. 204718
NK Persson et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
A theoretical investigation on the electronic and optical properties of π-conjugated copolymers with an efficient electron-accepting unit bithieno[3,2-b:2′3′-e]pyridine
L Yang et al.
POLYMER (2005)
High-efficiency solution processable polymer photovoltaic cells by self-organization of polymer blends
G Li et al.
NATURE MATERIALS (2005)
Single-reference ab initio methods for the calculation of excited states of large molecules
A Dreuw et al.
CHEMICAL REVIEWS (2005)
Thermally stable, efficient polymer solar cells with nanoscale control of the interpenetrating network morphology
WL Ma et al.
ADVANCED FUNCTIONAL MATERIALS (2005)
Theoretical studies of the modulation of polymer electronic and optical properties through the introduction of the electron-donating 3,4-ethylenedioxythiophene or electron-accepting pyridine and 1,3,4-oxadiazole moieties
L Yang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Theoretical studies on the electronic and optical properties of two new alternating fluorene/carbazole copolymers
L Yang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Theoretical study on electronic structure and optical properties of phenothiazine-containing conjugated oligomers and polymers
L Yang et al.
JOURNAL OF ORGANIC CHEMISTRY (2005)
Substituent effects on the edge-to-face aromatic interactions
EC Lee et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Improving the orbital-free density functional theory description of covalent materials
BJ Zhou et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Limitations of the Forster description of singlet exciton migration: The illustrative example of energy transfer to ketonic defects in ladder-type poly(para-phenylenes)
H Wiesenhofer et al.
ADVANCED FUNCTIONAL MATERIALS (2005)
Effective conjugation length of π-conjugated systems
J Rissler
CHEMICAL PHYSICS LETTERS (2004)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)
Organic solar cells: An overview
H Hoppe et al.
JOURNAL OF MATERIALS RESEARCH (2004)
Conjugated polymer photovoltaic cells
KM Coakley et al.
CHEMISTRY OF MATERIALS (2004)
Substituent effects in π-π interactions:: Sandwich and T-shaped configurations
MO Sinnokrot et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Exciton regeneration at polymeric semiconductor heterojunctions
AC Morteani et al.
PHYSICAL REVIEW LETTERS (2004)
A brief history of the development of organic and polymeric photovoltaics
H Spanggaard et al.
SOLAR ENERGY MATERIALS AND SOLAR CELLS (2004)
Charge-transfer and energy-transfer processes in π-conjugated oligomers and polymers:: A molecular picture
JL Brédas et al.
CHEMICAL REVIEWS (2004)
A long-range-corrected time-dependent density functional theory
Y Tawada et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Joint theoretical and experimental characterization of the structural and electronic properties of poly(dioctylfluorene-alt-N-butylphenyl diphenylamine)
JC Sancho-García et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Theoretical studies of the absorption and emission properties of the fluorene-based conjugated polymers
JF Wang et al.
MACROMOLECULES (2004)
The singlet-triplet exchange energy in conjugated polymers
A Kohler et al.
ADVANCED FUNCTIONAL MATERIALS (2004)
Unexpected substituent effects in face-to-face π-stacking interactions
MO Sinnokrot et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Electronic polarization in pentacene crystals and thin films
EV Tsiper et al.
PHYSICAL REVIEW B (2003)
Alternating oligo(p-phenylene vinylene)-perylene bisimide copolymers:: Synthesis, photophysics, and photovoltaic properties of a new class of donor-acceptor materials
EE Neuteboom et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Donor-acceptor type low band gap polymers: polysquaraines and related systems
A Ajayaghosh
CHEMICAL SOCIETY REVIEWS (2003)
Electronic and optical properties of polyfluorene and fluorene-based copolymers:: A quantum-chemical characterization
J Cornil et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Natural transition orbitals
RL Martin
JOURNAL OF CHEMICAL PHYSICS (2003)
Adiabatic time-dependent density functional methods for excited state properties
F Furche et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Estimates of the ab initio limit for π-π interactions:: The benzene dimer
MO Sinnokrot et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Electronic polarization at surfaces and thin films of organic molecular crystals: PTCDA
EV Tsiper et al.
CHEMICAL PHYSICS LETTERS (2002)
Charge redistribution and polarization energy of organic molecular crystals
EV Tsiper et al.
PHYSICAL REVIEW B (2001)
New conjugated polymers with donor-acceptor architectures: Synthesis and photophysics of carbazole-quinoline and phenothiazine-quinoline copolymers and oligomers exhibiting large intramolecular charge transfer
SA Jenekhe et al.
MACROMOLECULES (2001)
Charge redistribution and electronic polarization in organic molecular crystals
ZG Soos et al.
CHEMICAL PHYSICS LETTERS (2001)
Synthesis, characterization, and electrooptical properties of a new alternating N-dodecylpyrrole-benzothiadiazole copolymer
A Dhanabalan et al.
MACROMOLECULES (2001)
Developments in the chemistry and band gap engineering of donor-acceptor substituted conjugated polymers
HAM van Mullekom et al.
MATERIALS SCIENCE & ENGINEERING R-REPORTS (2001)
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