Combined orbital tomography study of multi-configurational molecular adsorbate systems
The shape and energy of frontier orbitals determine the reactivity of molecular systems. Combining orbital tomography based on photoelectron spectroscopy with electron diffraction and DFT, the authors investigate a complex multi-configurational adsorbate system revealing adsorptions geometries and h...
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Nature Portfolio
2019
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oai:doaj.org-article:9c6acef157d04c01b215386f6d090b092021-12-02T14:39:57ZCombined orbital tomography study of multi-configurational molecular adsorbate systems10.1038/s41467-019-13254-72041-1723https://doaj.org/article/9c6acef157d04c01b215386f6d090b092019-11-01T00:00:00Zhttps://doi.org/10.1038/s41467-019-13254-7https://doaj.org/toc/2041-1723The shape and energy of frontier orbitals determine the reactivity of molecular systems. Combining orbital tomography based on photoelectron spectroscopy with electron diffraction and DFT, the authors investigate a complex multi-configurational adsorbate system revealing adsorptions geometries and hierarchy and geometry of molecular orbitals.Pavel KliuievGiovanni ZamborliniMatteo JugovacYeliz GurdalKarin von ArxKay WaltarStephan SchnidrigRoger AlbertoMarcella IannuzziVitaliy FeyerMatthias HengsbergerJürg OsterwalderLuca CastiglioniNature PortfolioarticleScienceQENNature Communications, Vol 10, Iss 1, Pp 1-6 (2019) |
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Science Q |
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Science Q Pavel Kliuiev Giovanni Zamborlini Matteo Jugovac Yeliz Gurdal Karin von Arx Kay Waltar Stephan Schnidrig Roger Alberto Marcella Iannuzzi Vitaliy Feyer Matthias Hengsberger Jürg Osterwalder Luca Castiglioni Combined orbital tomography study of multi-configurational molecular adsorbate systems |
description |
The shape and energy of frontier orbitals determine the reactivity of molecular systems. Combining orbital tomography based on photoelectron spectroscopy with electron diffraction and DFT, the authors investigate a complex multi-configurational adsorbate system revealing adsorptions geometries and hierarchy and geometry of molecular orbitals. |
format |
article |
author |
Pavel Kliuiev Giovanni Zamborlini Matteo Jugovac Yeliz Gurdal Karin von Arx Kay Waltar Stephan Schnidrig Roger Alberto Marcella Iannuzzi Vitaliy Feyer Matthias Hengsberger Jürg Osterwalder Luca Castiglioni |
author_facet |
Pavel Kliuiev Giovanni Zamborlini Matteo Jugovac Yeliz Gurdal Karin von Arx Kay Waltar Stephan Schnidrig Roger Alberto Marcella Iannuzzi Vitaliy Feyer Matthias Hengsberger Jürg Osterwalder Luca Castiglioni |
author_sort |
Pavel Kliuiev |
title |
Combined orbital tomography study of multi-configurational molecular adsorbate systems |
title_short |
Combined orbital tomography study of multi-configurational molecular adsorbate systems |
title_full |
Combined orbital tomography study of multi-configurational molecular adsorbate systems |
title_fullStr |
Combined orbital tomography study of multi-configurational molecular adsorbate systems |
title_full_unstemmed |
Combined orbital tomography study of multi-configurational molecular adsorbate systems |
title_sort |
combined orbital tomography study of multi-configurational molecular adsorbate systems |
publisher |
Nature Portfolio |
publishDate |
2019 |
url |
https://doaj.org/article/9c6acef157d04c01b215386f6d090b09 |
work_keys_str_mv |
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1718390489354338304 |