| Proton defect solvation and dynamics in aqueous acid and base. | |
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MedLine Citation:
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PMID: 23037880 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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Easy come, easy go: LEWIS, a new model of reactive and polarizable water that enables the simulation of a statistically reliable number of proton hopping events in aqueous acid and base at concentrations of practical interest, is used to evaluate proton transfer intermediates in aqueous acid and base (picture, left and right, respectively). |
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Authors:
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Seyit Kale; Judith Herzfeld |
Publication Detail:
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Type: Journal Article; Research Support, N.I.H., Extramural Date: 2012-10-04 |
Journal Detail:
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Title: Angewandte Chemie (International ed. in English) Volume: 51 ISSN: 1521-3773 ISO Abbreviation: Angew. Chem. Int. Ed. Engl. Publication Date: 2012 Oct |
Date Detail:
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Created Date: 2012-10-25 Completed Date: 2013-01-22 Revised Date: 2013-04-16 |
Medline Journal Info:
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Nlm Unique ID: 0370543 Medline TA: Angew Chem Int Ed Engl Country: Germany |
Other Details:
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Languages: eng Pagination: 11029-32 Citation Subset: IM |
Copyright Information:
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Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. |
Affiliation:
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Graduate Program in Biophysics and Structural Biology, Brandeis University, MS 009, 415 South Street, Waltham, MA, USA. |
Export Citation:
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APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
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Diffusion Hydroxides / chemistry* Molecular Dynamics Simulation* Onium Compounds / chemistry* Protons* Solubility Water / chemistry |
| Grant Support | |
ID/Acronym/Agency:
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R01EB001035/EB/NIBIB NIH HHS |
| Chemical | |
Reg. No./Substance:
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0/Hydroxides; 0/Onium Compounds; 0/Protons; 5046UKT60S/hydronium ion; 7732-18-5/Water; 9159UV381P/hydroxide ion |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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