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Exciton Trapping in π-Conjugated Materials: A Quantum-Chemistry-Based Protocol Applied to Perylene Bisimide Dye Aggregates

, , , , , , , , , and . Journal of the American Chemical Society, 130 (39): 12858-12859 (2008)PMID: 18767851.
DOI: 10.1021/ja804331b

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Understanding Ground- and Excited-State Properties of Perylene Tetracarboxylic Acid Bisimide Crystals by Means of Quantum Chemical Computations, , , , , , , , and . Journal of the American Chemical Society, 131 (43): 15660--15668 (November 2009)Exciton Trapping in π-Conjugated Materials: A Quantum-Chemistry-Based Protocol Applied to Perylene Bisimide Dye Aggregates, , , , , , , , , and . Journal of the American Chemical Society, 130 (39): 12858-12859 (2008)PMID: 18767851.The role of radial nodes of atomic orbitals for chemical bonding and the periodic table.. J. Comput. Chem., 28 (1): 320-325 (2007)The DFT route to NMR chemical shifts., , , and . J. Comput. Chem., 20 (1): 91-105 (1999)Exciton Trapping in $\uppi$-Conjugated Materials: A Quantum-Chemistry-Based Protocol Applied to Perylene Bisimide Dye Aggregates, , , , , , , , , and . Journal of the American Chemical Society, 130 (39): 12858--12859 (October 2008)Excited states and spin–orbit coupling in chalcogen substituted perylene diimides and their radical anions, , , , , , , , and . Phys. Chem. Chem. Phys., 24 (42): 26254-26268 (2022)Electron transfer pathways in mixed-valence paracyclophane-bridged bis-triarylamine radical cations., , , , , , and . J. Comput. Chem., 37 (1): 93-102 (2016)Toward a correct treatment of core properties with local hybrid functionals., , and . J. Comput. Chem., 44 (32): 2461-2477 (2023)Calculation of electronic g-tensors for transition metal complexes using hybrid density functionals and atomic meanfield spin-orbit operators., , , , , and . J. Comput. Chem., 23 (8): 794-803 (2002)The role of -type nonbonding orbitals for spin-orbit induced NMR chemical shifts: DFT study of 13C and 19F shifts in the series CF3IFn (n=0, 2, 4, 6)., , and . J. Comput. Chem., 20 (12): 1304-1313 (1999)