Data · collection · 2015
Electronic quantum fluxes in vibrating symmetric and polar single, double and triple bonds
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We investigate electronic quantum fluxes during large amplitude nuclear vibrations of hydrocarbon (H n CCH n ), hydrosilicon (H n SiSiH n ) and organosilicon (H n SiCH n ) compounds with n = 1, 2, 3.
Description
The total electronic fluxes are analysed in terms of contributions from localised molecular orbital densities. Furthermore, the vibrationally induced charge transfer in the polar compounds is investigated in terms of the underlying fluxes.
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- Repository landing page figshare.com/collections/Electronic_quantum_fluxes_in_vibrating_symmetric_a… ↗
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- Repository landing page figshare.com/collections/Electronic_quantum_fluxes_in_vibrating_symmetric_a… ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.c.2168342 ↗
DOI / persistent id · from DataCite
- DOI doi.org/10.6084/m9.figshare.c.2168342.v1 ↗
DOI / persistent id · from DataCite
Documentation and papers
- CC-BY creativecommons.org/licenses/by/3.0/us ↗
license · from DataCite
- IsSupplementTo 10.1080/00268976.2015.1122843 doi.org/10.1080/00268976.2015.1122843 ↗
publication · from DataCite
Catalogue records · 4
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.c.2168342.v1 ↗
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- DataCite API api.datacite.org/dois/10.6084/m9.figshare.c.2168342 ↗
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- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.c.2168342.v1 ↗
catalogue entry · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.c.2168342 ↗
catalogue entry · from DataCite
Topics
Provenance · 2 source records, 17 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.c.2168342 | 15 d ago | JSON v1 |
| DataCite | 10.6084/m9.figshare.c.2168342.v1 | 15 d ago | JSON v1 |
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