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Fink, Reinhold F., Pfister, Johannes, Zhao, Hong Mei, Engels, Bernd (2008) Assessment of quantum chemical methods and basis sets for excitation energy transfer. Chemical Physics, 346. 275-285 doi:10.1016/j.chemphys.2008.03.014

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Reference TypeJournal (article/letter/editorial)
TitleAssessment of quantum chemical methods and basis sets for excitation energy transfer
JournalChemical Physics
AuthorsFink, Reinhold F.Author
Pfister, JohannesAuthor
Zhao, Hong MeiAuthor
Engels, BerndAuthor
Year2008 (May)Volume346
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2008.03.014Search in ResearchGate
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Mindat Ref. ID5961532Long-form Identifiermindat:1:5:5961532:7
GUID0
Full ReferenceFink, Reinhold F., Pfister, Johannes, Zhao, Hong Mei, Engels, Bernd (2008) Assessment of quantum chemical methods and basis sets for excitation energy transfer. Chemical Physics, 346. 275-285 doi:10.1016/j.chemphys.2008.03.014
Plain TextFink, Reinhold F., Pfister, Johannes, Zhao, Hong Mei, Engels, Bernd (2008) Assessment of quantum chemical methods and basis sets for excitation energy transfer. Chemical Physics, 346. 275-285 doi:10.1016/j.chemphys.2008.03.014
In(n.d.) Chemical Physics Vol. 346. Elsevier BV

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Fink, R.F., Pfister, J., Schneider, A., Zhao, H., Engels, B. (2008) Ab initio configuration interaction description of excitation energy transfer between closely packed molecules. Chemical Physics, 343. 353-361 doi:10.1016/j.chemphys.2007.08.021
Fink, Reinhold F., Seibt, Joachim, Engel, Volker, Renz, Manuel, Kaupp, Martin, Lochbrunner, Stefan, Zhao, Hong-Mei, Pfister, Johannes, Würthner, Frank, Engels, Bernd (2008) Exciton Trapping in π-Conjugated Materials: A Quantum-Chemistry-Based Protocol Applied to Perylene Bisimide Dye Aggregates. Journal Of The American Chemical Society, 130 (39) 12858-12859 doi:10.1021/ja804331b
Zhao, Hong-Mei, Pfister, Johannes, Settels, Volker, Renz, Manuel, Kaupp, Martin, Dehm, Volker C., Würthner, Frank, Fink, Reinhold F., Engels, Bernd (2009) Understanding Ground- and Excited-State Properties of Perylene Tetracarboxylic Acid Bisimide Crystals by Means of Quantum Chemical Computations. Journal Of The American Chemical Society, 131 (43) 15660-15668 doi:10.1021/ja902512e
Schon, Christof, Roth, Wolfgang, Fischer, Ingo, Pfister, Johannes, Fink, Reinhold F., Engels, Bernd (2011) Paracyclophanes as model compounds for strongly interacting π-systems. Part 2: mono-hydroxy[2.2]paracyclophane. Physical Chemistry Chemical Physics, 13 (23). 11076pp. doi:10.1039/c0cp02841j
Schon, Christof, Roth, Wolfgang, Fischer, Ingo, Pfister, Johannes, Kaiser, Conrad, Fink, Reinhold F., Engels, Bernd (2010) Paracyclophanes as model compounds for strongly interacting π-systems. Part 1. Pseudo-ortho-dihydroxy[2.2]paracyclophane. Physical Chemistry Chemical Physics, 12 (32). 9339pp. doi:10.1039/b925634b
Liu, Wenlan, Lunkenheimer, Bernd, Settels, Volker, Engels, Bernd, Fink, Reinhold F., Köhn, Andreas (2015) A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systems. The Journal of Chemical Physics, 143 (8). 84106pp. doi:10.1063/1.4929352
Fægri, Knut (2005) Even tempered basis sets for four-component relativistic quantum chemistry. Chemical Physics, 311. 25-34 doi:10.1016/j.chemphys.2004.09.032
Pfister, Johannes, Schon, Christof, Roth, Wolfgang, Kaiser, Conrad, Lambert, Christoph, Gruss, Katrin, Braunschweig, Holger, Fischer, Ingo, Fink, Reinhold F., Engels, Bernd (2011) Paracyclophanes as Model Compounds for Strongly Interacting π-Systems, Part 3: Influence of the Substitution Pattern on Photoabsorption Properties. The Journal of Physical Chemistry A, 115 (15). 3583-3591 doi:10.1021/jp200823q
Fink, Reinhold F. (2009) The multi-reference retaining the excitation degree perturbation theory: A size-consistent, unitary invariant, and rapidly convergent wavefunction based ab initio approach. Chemical Physics, 356. 39-46 doi:10.1016/j.chemphys.2008.10.004
Zhu, Hui, May, Volkhard, Röder, Beate (2008) Mixed quantum classical simulations of electronic excitation energy transfer: The pheophorbide-a DAB dendrimer in solution. Chemical Physics, 351. 117-128 doi:10.1016/j.chemphys.2008.04.009
Mladenovic, Milena, Fink, Reinhold F., Thiel, Walter, Schirmeister, Tanja, Engels, Bernd (2008) On the Origin of the Stabilization of the Zwitterionic Resting State of Cysteine Proteases: A Theoretical Study. Journal Of The American Chemical Society, 130 (27) 8696-8705 doi:10.1021/ja711043x
 
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