Autor der Publikation

Structure–Property Relationships for Exciton and Charge Reorganization Energies of Dipolar Organic Semiconductors: A Combined Valence Bond Self-Consistent Field and Time-Dependent Hartree-Fock and DFT Study of Merocyanine Dyes

, , , , , , und . The Journal of Physical Chemistry C, 119 (31): 17602--17611 (Juli 2015)
DOI: 10.1021/acs.jpcc.5b06206

Bitte wählen Sie eine Person um die Publikation zuzuordnen

Um zwischen Personen mit demselben Namen zu unterscheiden, wird der akademische Grad und der Titel einer wichtigen Publikation angezeigt. Zudem lassen sich über den Button neben dem Namen einige der Person bereits zugeordnete Publikationen anzeigen.

 

Weitere Publikationen von Autoren mit dem selben Namen

Atomistic Approach To Simulate Processes Relevant for the Efficiencies of Organic Solar Cells as a Function of Molecular Properties. II. Kinetic Aspects, , , und . The Journal of Physical Chemistry C, 121 (1): 26--51 (Dezember 2016)QM/MM calculations combined with the dimer approach on the static disorder at organic-organic interfaces of thin-film organic solar cells composed of small molecules., , , , und . J. Phys. Org. Chem., (September 2017)Theoretical investigation of the interactions between the $\uppi$-systems of molecular organic semiconductors and an analysis of the contributions of repulsion and electrostatics, , und . International Journal of Quantum Chemistry, 116 (15): 1138--1152 (April 2016)Structure–Property Relationships for Exciton and Charge Reorganization Energies of Dipolar Organic Semiconductors: A Combined Valence Bond Self-Consistent Field and Time-Dependent Hartree-Fock and DFT Study of Merocyanine Dyes, , , , , , und . The Journal of Physical Chemistry C, 119 (31): 17602--17611 (Juli 2015)Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene, , , , , , , , , und . Journal of the American Chemical Society, 137 (21): 6750--6753 (Mai 2015)Structure–Property Relationships from Atomistic Multiscale Simulations of the Relevant Processes in Organic Solar Cells. I. Thermodynamic Aspects, , , und . The Journal of Physical Chemistry C, 121 (1): 4--25 (Dezember 2016)A theoretical description of charge reorganization energies in molecular organic P-type semiconductors., und . J. Comput. Chem., 37 (15): 1335-1344 (2016)Benchmarking Ground-State Geometries and Vertical Excitation Energies of a Selection of P-Type Semiconducting Molecules with Different Polarity, und . The Journal of Physical Chemistry A, 119 (51): 12876--12891 (Dezember 2015)Benchmarking singlet and triplet excitation energies of molecular semiconductors for singlet fission: Tuning the amount of HF exchange and adjusting local correlation to obtain accurate functionals for singlet–triplet gaps, und . Chemical Physics, (Januar 2017)