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

Bühl, M.; Kabrede, H.

doi:10.1002/cphc.200600347

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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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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-92EF-1 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0023-C5BB-0

Genre: Journal Article

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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: Date issued: 2006

Publication Status: Issued

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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