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Wavefunction for the lithium electride ROGDAS in a continuum solvent water
Title: | Wavefunction for the lithium electride ROGDAS in a continuum solvent water |
Authors: | Rzepa, H |
Item Type: | Dataset |
Abstract: | Wavefunction for the lithium electride ROGDAS in a continuum solvent water at the wB97XD/6-31+G9d)/SCRF=water level Wavefunction for the lithium electride ROGDAS in a continuum solvent water at the wB97XD/6-31+G9d)/SCRF=water level |
Content Version: | 1 |
Issue Date: | 13-Jul-2015 |
URI: | http://hdl.handle.net/10044/1/77101 |
DOI: | https://doi.org/10.5281/zenodo.20038 |
Copyright Statement: | http://creativecommons.org/publicdomain/zero/1.0/legalcode |
Keywords: | electride solvation field |
Appears in Collections: | Faculty of Natural Sciences - Research Data |