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An investigation of H-atom positions in sulfuric acid crystal structures
Department of Physical Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91 Stockholm, Sweden.
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Physical Chemistry .ORCID iD: 0000-0002-5341-2637
2004 (English)In: Acta Crystallographica Section B: Structural Science, ISSN 0108-7681, Vol. 60, no 2, 179-183 p.Article in journal (Refereed) Published
Abstract [en]

Hydrogen conformations in crystalline H2SO4· 8H2O and H2SO4·6.5H2O have been studied using a system developed by Hirsch [(2003), Z. Anorg. Allg. Chem. 629, 666-672]. New H-atom coordinates, as estimated from DFT calculations, are given for these structures. © 2004 International Union of Crystallography Printed in Great Britain - all rights reserved.

Place, publisher, year, edition, pages
2004. Vol. 60, no 2, 179-183 p.
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Engineering and Technology
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URN: urn:nbn:se:liu:diva-45780DOI: 10.1107/S0108768104000540OAI: oai:DiVA.org:liu-45780DiVA: diva2:266676
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2015-03-09

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Ojamäe, Lars

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