| P50 | author | Walter Thiel | Q109205 |
| | Mario Barbatti | Q42822067 |
| | Daniele Fazzi | Q48357551 |
| P2860 | cites work | Density-functional thermochemistry. III. The role of exact exchange | Q25938987 |
| | Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections | Q28300017 |
| | Ultrafast dynamics in thiophene investigated by femtosecond pump probe photoelectron spectroscopy and theory | Q33313259 |
| | Molecular design and ordering effects in π-functional materials for transistor and solar cell applications | Q34224363 |
| | Hot charge-transfer excitons set the time limit for charge separation at donor/acceptor interfaces in organic photovoltaics. | Q34316441 |
| | Electron-hole diffusion lengths exceeding 1 micrometer in an organometal trihalide perovskite absorber | Q34378473 |
| | The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems | Q35846050 |
| | Excitons in conjugated oligomer aggregates, films, and crystals | Q36442364 |
| | Quinoidal oligothiophenes: new properties behind an unconventional electronic structure | Q38027077 |
| | Trajectory-based nonadiabatic dynamics with time-dependent density functional theory. | Q38102651 |
| | Nonadiabatic excited-state molecular dynamics: modeling photophysics in organic conjugated materials | Q38199704 |
| | Importance of the donor:fullerene intermolecular arrangement for high-efficiency organic photovoltaics | Q38220514 |
| | Charge generation in polymer-fullerene bulk-heterojunction solar cells | Q38226214 |
| | Charge separation energetics at organic heterojunctions: on the role of structural and electrostatic disorder | Q38232596 |
| | Enabling silicon for solar-fuel production | Q38236049 |
| | Quantum coherence controls the charge separation in a prototypical artificial light-harvesting system | Q39554427 |
| | Interfacial States in Donor-Acceptor Organic Heterojunctions: Computational Insights into Thiophene-Oligomer/Fullerene Junctions | Q40295833 |
| | Defects are needed for fast photo-induced electron transfer from a nanocrystal to a molecule: time-domain ab initio analysis | Q45217142 |
| | Hot exciton dissociation in polymer solar cells. | Q46020298 |
| | Exciton formation, relaxation, and decay in PCDTBT. | Q46160852 |
| | Charge Separation and Exciton Dynamics at Polymer/ZnO Interface from First-Principles Simulations | Q46683809 |
| | Excited states of thiophene: ring opening as deactivation mechanism | Q46823493 |
| | Mesoscopic features of charge generation in organic semiconductors | Q46863040 |
| | Modeling materials and processes in hybrid/organic photovoltaics: from dye-sensitized to perovskite solar cells | Q50051595 |
| | Asymmetry in the electron and hole transfer at a polymer-carbon nanotube heterojunction. | Q50470960 |
| | Ultrafast long-range charge separation in organic semiconductor photovoltaic diodes. | Q50626338 |
| | Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics. | Q50749790 |
| | Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules. | Q51616163 |
| | From Short Conjugated Oligomers to Conjugated Polymers. Lessons from Studies on Long Conjugated Oligomers | Q51648236 |
| | Critical appraisal of the fewest switches algorithm for surface hopping. | Q51917490 |
| | Conformational disorder in energy transfer: beyond Förster theory. | Q53801116 |
| | Ultrafast charge separation in organic photovoltaics enhanced by charge delocalization and vibronically hot exciton dissociation. | Q54731926 |
| | The Role of Driving Energy and Delocalized States for Charge Separation in Organic Semiconductors | Q56517151 |
| | Implementation of surface hopping molecular dynamics using semiempirical methods | Q57397869 |
| | Photophysics of thiophene based polymers in solution: The role of nonradiative decay processes | Q57595856 |
| | Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study | Q58023812 |
| | Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran | Q58023821 |
| P433 | issue | 12 | |
| P407 | language of work or name | English | Q1860 |
| P1104 | number of pages | 13 | |
| P304 | page(s) | 7787-7799 | |
| P577 | publication date | 2015-03-01 | |
| P1433 | published in | Physical Chemistry Chemical Physics | Q3018671 |
| P1476 | title | Modeling ultrafast exciton deactivation in oligothiophenes via nonadiabatic dynamics | |
| P478 | volume | 17 | |