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Ab initio molecular dynamics and quasichemical study of H+(aq).
Asthagiri D, Pratt LR, Kress JD. Asthagiri D, et al. Proc Natl Acad Sci U S A. 2005 May 10;102(19):6704-8. doi: 10.1073/pnas.0408071102. Epub 2005 Apr 14. Proc Natl Acad Sci U S A. 2005. PMID: 15831590 Free PMC article.
Hydration and mobility of HO-(aq).
Asthagiri D, Pratt LR, Kress JD, Gomez MA. Asthagiri D, et al. Proc Natl Acad Sci U S A. 2004 May 11;101(19):7229-33. doi: 10.1073/pnas.0401696101. Epub 2004 Apr 29. Proc Natl Acad Sci U S A. 2004. PMID: 15123832 Free PMC article.
Beryllium displacement of H+ from strong hydrogen bonds.
McCleskey TM, Ehler DS, Keizer TS, Asthagiri DN, Pratt LR, Michalczyk R, Scott BL. McCleskey TM, et al. Angew Chem Int Ed Engl. 2007;46(15):2669-71. doi: 10.1002/anie.200604623. Angew Chem Int Ed Engl. 2007. PMID: 17348063 No abstract available.
82 results