Calculation of the excited states properties of LH1 complex of Thermochromatium tepidum
© 2018 Wiley Periodicals, Inc.
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 39(2018), 21 vom: 05. Aug., Seite 1599-1606 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2018
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't electronic circular dichroism excitonic states light-harvesting complex magnetic circular dichroism site heterogeneity Light-Harvesting Protein Complexes |
| Zusammenfassung: | © 2018 Wiley Periodicals, Inc. Calculation of the excited states properties of pigment complexes is one of the key problems in the photosynthesis research. The excited states of LH1 complex of Thermochromatium tepidum were studied by means of the high-precision quantum chemistry methods. The influence of different parameters of the calculation procedure was examined. The optimal scheme of calculation was chosen by comparison of calculated results with the experimental data on absorption, electronic and magnetic circular dichroism spectra. The high importance of the account of the second excited states of bacteriochlorophylls and of site heterogeneity was shown. © 2018 Wiley Periodicals, Inc |
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| Beschreibung: | Date Completed 17.09.2019 Date Revised 17.09.2019 published: Print-Electronic Citation Status MEDLINE |
| ISSN: | 1096-987X |
| DOI: | 10.1002/jcc.25232 |