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Modelling amorphous lithium salt-PEO polymer electrolytes: ab initio calculations of lithium ion-tetra-, penta- and hexaglyme complexes
Uppsala University.
Uppsala University.
Uppsala University.
1999 (English)In: POLYMER, ISSN 0032-3861, Vol. 40, no 15, 4399-4406 p.Article in journal (Other scientific) Published
Abstract [en]

Several stable structures of the 1:1 complexes of a lithium ion with tetra-, penta- and hexaglyme [CH3O(CH2CH2O)(n)CH3, n = 4-6] have been obtained with ab initio calculations at the Hartree-Fock level of theory employing the 3-21G* basis set. Twenty-thre

Place, publisher, year, edition, pages
ELSEVIER SCI LTD , 1999. Vol. 40, no 15, 4399-4406 p.
Keyword [en]
ab initio calculations; poly(ethylene oxide); polymer electrolytes; EARTH METAL-IONS; POLY(ETHYLENE OXIDE); OLIGOETHER COMPLEXES; MOLECULAR-WEIGHT; THIOCYANATES; OLIGOMERS; STRONTIUM; CALCIUM; ETHER
Identifiers
URN: urn:nbn:se:uu:diva-84650OAI: oai:DiVA.org:uu-84650DiVA: diva2:112558
Note
Addresses: Lindgren J, Uppsala Univ, Angstrom Lab, Box 538, SE-75121 Uppsala, Sweden. Uppsala Univ, Angstrom Lab, SE-75121 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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