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Wave function for the lithium electride ROGDAS
Author(s)
Rzepa, Henry
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.
Version
1
Date Issued
2015-07-12
Citation
2015
URI
DOI
Copyright Statement
http://creativecommons.org/publicdomain/zero/1.0/legalcode
Subjects
spin density
electride
Wavefunction