Dmitry Sharapa



Organisation


Interdisziplinäres Zentrum für Molekulare Materialien
Lehrstuhl für Organische Chemie II
Sonderforschungsbereich 953/2 Synthetische Kohlenstoffallotrope
Computer-Chemie-Centrum


Publications (Download BibTeX)

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Kulsha, A.V., & Sharapa, D. (2019). Superhalogen and Superacid. Journal of Computational Chemistry. https://dx.doi.org/10.1002/jcc.26007
Dirian, K., Bauroth, S., Roth, A.M., Syrgiannis, Z., Rigodanza, F., Burian, M.,... Guldi, D.M. (2018). A water-soluble, bay-functionalized perylenediimide derivative - correlating aggregation and excited state dynamics. Nanoscale, 10(5), 2317-2326. https://dx.doi.org/10.1039/c7nr07870f
Legon, A.C., Sharapa, D., & Clark, T. (2018). Dispersion and polar flattening: noble gas-halogen complexes. Journal of Molecular Modeling, 24(7). https://dx.doi.org/10.1007/s00894-018-3711-y
Keller, N., Calik, M., Sharapa, D., Soni, H., Zehetmaier, P.M., Rager, S.,... Bein, T. (2018). Enforcing Extended Porphyrin J-Aggregate Stacking in Covalent Organic Frameworks. Journal of the American Chemical Society, 140, 16544. https://dx.doi.org/10.1021/jacs.8b08088
Sharapa, D., Margraf, J.T., Heßelmann, A., & Clark, T. (2017). Accurate Intermolecular Potential for the C-60 Dimer: The Performance of Different Levels of Quantum Theory. Journal of Chemical Theory and Computation, 13(1), 274-285. https://dx.doi.org/10.1021/acs.jctc.6b00869
Kriebel, M., Sharapa, D., & Clark, T. (2017). Charge Transport in Organic Materials: Norm-Conserving Imaginary Time Propagation with Local Ionization Energy as the External Potential. Journal of Chemical Theory and Computation, 13(12), 6308-6316. https://dx.doi.org/10.1021/acs.jctc.7b00568
Holzwarth, J., Amsharov, K., Sharapa, D., Reger, D., Roshchyna, K., Lungerich, D.,... Hirsch, A. (2017). Highly Regioselective Alkylation of Hexabenzocoronenes: Fundamental Insights into the Covalent Chemistry of Graphene. Angewandte Chemie, 129(40), 12352-12358. https://dx.doi.org/10.1002/ange.20170643
Holzwarth, J., Amsharov, K., Sharapa, D., Reger, D., Roshchyna, K., Lungerich, D.,... Hirsch, A. (2017). Highly Regioselective Alkylation of Hexabenzocoronenes: Fundamental Insights into the Covalent Chemistry of Graphene. Angewandte Chemie-International Edition, 56(40), 12184-12190. https://dx.doi.org/10.1002/anie.201706437
Amsharov, K., Holzwarth, J., Roshchyna, K., Sharapa, D., Hampel, F., & Hirsch, A. (2017). Synthesis, Structural Characterization, and Crystal Packing of the Elusive Pentachlorinated Azafullerene C59NCl5. Chemistry - A European Journal, 23(38), 9014-9017. https://dx.doi.org/10.1002/chem.201700802
Beierlein, F., Paradas Palomo, M., Sharapa, D., Zozulia, O., Mokhir, A., & Clark, T. (2016). DNA-Dye-Conjugates: Conformations and Spectra of Fluorescence Probes. Plos One, 11(7), e0160229. https://dx.doi.org/10.1371/journal.pone.0160229

Last updated on 2019-11-07 at 17:07