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231225s2017 xx |||||o 00| ||eng c |
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|a 10.1002/adma.201705261
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|a eng
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|a Milichko, Valentin A
|e verfasserin
|4 aut
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|a Response to Comment "On the Existence of Excitonic Signatures in the Optical Response of Metal-Organic Frameworks"
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|c 2017
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|a Text
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|a Date Completed 18.07.2018
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|a Date Revised 01.10.2020
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|a published: Print
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|a Citation Status PubMed-not-MEDLINE
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|a © 2017 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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|a This is a response to a comment on the interpretation of the origin of the nonlinear changes of optical properties of van der Waals' metal-organic frameworks (MOFs). The concerns are addressed by clarifying potential pitfalls in density functional theory (DFT) simulations, careful analysis of prior literature, and additionally discussing the previous experimental results to emphasize the applicability of the excitonic concept in molecular crystals, such as MOFs
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|a Journal Article
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|a accuracy
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|a density functional theory
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|a excitons
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|a metal-organic frameworks
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|a molecular modeling
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1 |
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|a Khramenkova, Elena V
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Dzyuba, Vladimir P
|e verfasserin
|4 aut
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1 |
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|a Pidko, Evgeny A
|e verfasserin
|4 aut
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