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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