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  Acidity of uranyl(VI) hydrate studied with first-principles molecular dynamics simulations

Bühl, M., & Kabrede, H. (2006). Acidity of uranyl(VI) hydrate studied with first-principles molecular dynamics simulations. ChemPhysChem, 7, 2290-2293. doi:10.1002/cphc.200600347.

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 Creators:
Bühl, M.1, Author              
Kabrede, H.2, Author              
Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              
2Research Group Bühl, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445601              

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Free keywords: actinides; density functional calculations; hydrolysis; molecular dynamics; solvent effects
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Language(s): eng - English
 Dates: 2006
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 299531
DOI: 10.1002/cphc.200600347
ISI: 000242319200007
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Title: ChemPhysChem
  Alternative Title : ChemPhysChem
Source Genre: Journal
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Pages: - Volume / Issue: 7 Sequence Number: - Start / End Page: 2290 - 2293 Identifier: ISSN: 1439-4235