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231225s2018 xx |||||o 00| ||eng c |
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|a 10.1002/jcc.25232
|2 doi
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|a pubmed24n0944.xml
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|a eng
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1 |
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|a Kozlov, Maxim I
|e verfasserin
|4 aut
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|a Calculation of the excited states properties of LH1 complex of Thermochromatium tepidum
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|c 2018
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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| 338 |
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|a ƒa Online-Ressource
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|2 rdacarrier
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| 500 |
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|a Date Completed 17.09.2019
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|a Date Revised 17.09.2019
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a © 2018 Wiley Periodicals, Inc.
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|a 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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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a electronic circular dichroism
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4 |
|a excitonic states
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|a light-harvesting complex
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|a magnetic circular dichroism
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|a site heterogeneity
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| 650 |
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|a Light-Harvesting Protein Complexes
|2 NLM
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| 700 |
1 |
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|a Poddubnyy, Vladimir V
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Glebov, Ilya O
|e verfasserin
|4 aut
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| 773 |
0 |
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 39(2018), 21 vom: 05. Aug., Seite 1599-1606
|w (DE-627)NLM098138448
|x 1096-987X
|7 nnns
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| 773 |
1 |
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|g volume:39
|g year:2018
|g number:21
|g day:05
|g month:08
|g pages:1599-1606
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|u http://dx.doi.org/10.1002/jcc.25232
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