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Wave function for the lithium electride ROGDAS
| Title: | Wave function for the lithium electride ROGDAS |
| Authors: | Rzepa, H |
| Item Type: | Dataset |
| Abstract: | The wave function for the lithium electride ROGDAS at the b3lyp/6-31+G(d) level, analysed as a molecular electrostatic potential, a spin density, a molecular orbital and as a reduced density gradient (NCI) distribution. The wave function for the lithium electride ROGDAS at the b3lyp/6-31+G(d) level, analysed as a molecular electrostatic potential, a spin density, a molecular orbital and as a reduced density gradient (NCI) distribution. |
| Content Version: | 1 |
| Issue Date: | 12-Jul-2015 |
| URI: | http://hdl.handle.net/10044/1/77100 |
| DOI: | https://doi.org/10.5281/zenodo.19966 |
| Copyright Statement: | http://creativecommons.org/publicdomain/zero/1.0/legalcode |
| Keywords: | spin density electride Wavefunction |
| Appears in Collections: | Faculty of Natural Sciences - Research Data |