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An investigation of H-atom positions in sulfuric acid crystal structures
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- Hirsch, T.K. (author)
- Department of Physical Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91 Stockholm, Sweden
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- Ojamäe, Lars (author)
- Linköpings universitet,Tekniska högskolan,Fysikalisk Kemi
- (creator_code:org_t)
- 2004
- 2004
- English.
- In: Acta Crystallographica Section B. - 0108-7681 .- 1600-5740. ; 60:2, s. 179-183
- Journal article (peer-reviewed)
Abstract
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- 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.
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- TEKNIKVETENSKAP
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