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Journal Abstract Search

345 related items for PubMed ID: 19253986

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  • 27. Structure and dynamics of the [Zn(NH3)(H2O)5]2+ complex in aqueous solution obtained by an ab initio QM/MM molecular dynamics study.
    Qaiser Fatmi M, Hofer TS, Randolf BR, Rode BM.
    Phys Chem Chem Phys; 2006 Apr 14; 8(14):1675-81. PubMed ID: 16633651
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  • 29. Hydration shell structure and dynamics of curium(III) in aqueous solution: first principles and empirical studies.
    Atta-Fynn R, Bylaska EJ, Schenter GK, de Jong WA.
    J Phys Chem A; 2011 May 12; 115(18):4665-77. PubMed ID: 21500828
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  • 31. Dynamics of ligand exchange mechanism at Cu(II) in water: an ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region.
    Moin ST, Hofer TS, Weiss AK, Rode BM.
    J Chem Phys; 2013 Jul 07; 139(1):014503. PubMed ID: 23822310
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  • 37. Characterization of structure and dynamics of an aqueous scandium(III) ion by an extended ab initio QM/MM molecular dynamics simulation.
    Vchirawongkwin V, Kritayakornupong C, Tongraar A, Rode BM.
    Dalton Trans; 2012 Oct 14; 41(38):11889-97. PubMed ID: 22914797
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  • 39. Determination of structure and dynamics of the solvated bisulfide (HS-) ion by ab initio QMCF molecular dynamics.
    Kritayakornupong C, Vchirawongkwin V, Rode BM.
    J Phys Chem B; 2010 Oct 14; 114(40):12883-7. PubMed ID: 20857990
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