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Huenerbein, Robert, Grimme, Stefan (2008) Time-dependent density functional study of excimers and exciplexes of organic molecules. Chemical Physics, 343. 362-371 doi:10.1016/j.chemphys.2007.08.005

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Reference TypeJournal (article/letter/editorial)
TitleTime-dependent density functional study of excimers and exciplexes of organic molecules
JournalChemical Physics
AuthorsHuenerbein, RobertAuthor
Grimme, StefanAuthor
Year2008 (January)Volume343
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2007.08.005Search in ResearchGate
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Mindat Ref. ID5961402Long-form Identifiermindat:1:5:5961402:7
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Full ReferenceHuenerbein, Robert, Grimme, Stefan (2008) Time-dependent density functional study of excimers and exciplexes of organic molecules. Chemical Physics, 343. 362-371 doi:10.1016/j.chemphys.2007.08.005
Plain TextHuenerbein, Robert, Grimme, Stefan (2008) Time-dependent density functional study of excimers and exciplexes of organic molecules. Chemical Physics, 343. 362-371 doi:10.1016/j.chemphys.2007.08.005
In(n.d.) Chemical Physics Vol. 343. Elsevier BV

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Huenerbein, Robert, Schirmer, Birgitta, Moellmann, Jonas, Grimme, Stefan (2010) Effects of London dispersion on the isomerization reactions of large organic molecules: a density functional benchmark study. Physical Chemistry Chemical Physics, 12 (26). 6940pp. doi:10.1039/c003951a
de Wergifosse, Marc, Grimme, Stefan (2024) The eXact integral simplified time-dependent density functional theory (XsTD-DFT) The Journal of Chemical Physics, 160 (20) doi:10.1063/5.0206380
Jones, Ariel C.; Loeff, Tobias F.; Heath, Benjamin J.; Goerigk, Lars (2025) Rare-gas excimers and exciplexes: Surprising challenges for time-dependent Density Functional Theory approaches. Polyhedron, 280. doi:10.1016/j.poly.2025.117678
Bannwarth, Christoph, Grimme, Stefan (2014) A simplified time-dependent density functional theory approach for electronic ultraviolet and circular dichroism spectra of very large molecules. Computational and Theoretical Chemistry, 1040. 45-53 doi:10.1016/j.comptc.2014.02.023
Grimme, Stefan, Izgorodina, Ekaterina I. (2004) Calculation of 0–0 excitation energies of organic molecules by CIS(D) quantum chemical methods. Chemical Physics, 305. 223-230 doi:10.1016/j.chemphys.2004.06.050
de Wergifosse, Marc, Seibert, Jakob, Grimme, Stefan (2020) Simplified time-dependent density functional theory (sTD-DFT) for molecular optical rotation. The Journal of Chemical Physics, 153 (8) 84116pp. doi:10.1063/5.0020543
Grimme, Stefan (2001) Calculation of frequency dependent optical rotation using density functional response theory. Chemical Physics Letters, 339. 380-388 doi:10.1016/s0009-2614(01)00356-6
Dierksen, Marc, Grimme, Stefan (2004) The Vibronic Structure of Electronic Absorption Spectra of Large Molecules:  A Time-Dependent Density Functional Study on the Influence of “Exact” Hartree−Fock Exchange. The Journal of Physical Chemistry A, 108 (46). 10225-10237 doi:10.1021/jp047289h
Beenken, Wichard J.D. (2008) Torsional broadening in absorption and emission spectra of bithiophene as calculated by time-dependent density functional theory. Chemical Physics, 349. 250-255 doi:10.1016/j.chemphys.2008.03.008
Grimme, Stefan (1996) Density functional calculations with configuration interaction for the excited states of molecules. Chemical Physics Letters, 259. 128-137 doi:10.1016/0009-2614(96)00722-1
Grimme, Stefan, Steinmetz, Marc (2013) Effects of London dispersion correction in density functional theory on the structures of organic molecules in the gas phase. Physical Chemistry Chemical Physics, 15 (38). 16031pp. doi:10.1039/c3cp52293h
 
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