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Journal Abstract Search

458 related items for PubMed ID: 20020473

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  • 2. Structural and dynamical properties of hydrogen fluoride in aqueous solution: an ab initio quantum mechanical charge field molecular dynamics simulation.
    Kritayakornupong C, Vchirawongkwin V, Hofer TS, Rode BM.
    J Phys Chem B; 2008 Sep 25; 112(38):12032-7. PubMed ID: 18729507
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  • 5. A quantum mechanical charge field molecular dynamics study of Fe(2+) and Fe(3+) ions in aqueous solutions.
    Moin ST, Hofer TS, Pribil AB, Randolf BR, Rode BM.
    Inorg Chem; 2010 Jun 07; 49(11):5101-6. PubMed ID: 20441160
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  • 7. Hydrated germanium (II): irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study.
    Azam SS, Lim LH, Hofer TS, Randolf BR, Rode BM.
    J Comput Chem; 2010 Jan 30; 31(2):278-85. PubMed ID: 19479764
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  • 10. Structure and dynamics of the chromate ion in aqueous solution. An ab initio QMCF-MD simulation.
    Hinteregger E, Pribil AB, Hofer TS, Randolf BR, Weiss AK, Rode BM.
    Inorg Chem; 2010 Sep 06; 49(17):7964-8. PubMed ID: 20704361
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  • 12. Hydration of sodium(I) and potassium(I) revisited: a comparative QM/MM and QMCF MD simulation study of weakly hydrated ions.
    Azam SS, Hofer TS, Randolf BR, Rode BM.
    J Phys Chem A; 2009 Mar 05; 113(9):1827-34. PubMed ID: 19203258
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  • 17. Beryllium(II): the strongest structure-forming ion in water? A QMCF MD simulation study.
    Azam SS, Hofer TS, Bhattacharjee A, Lim LH, Pribil AB, Randolf BR, Rode BM.
    J Phys Chem B; 2009 Jul 09; 113(27):9289-95. PubMed ID: 19522491
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  • 19. Structure and dynamics of the U4+ ion in aqueous solution: an ab initio quantum mechanical charge field molecular dynamics study.
    Frick RJ, Pribil AB, Hofer TS, Randolf BR, Bhattacharjee A, Rode BM.
    Inorg Chem; 2009 May 04; 48(9):3993-4002. PubMed ID: 19338289
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  • 20. Structural and dynamical properties and vibrational spectra of bisulfate ion in water: a study by Ab initio quantum mechanical charge field molecular dynamics.
    Vchirawongkwin V, Kritayakornupong C, Rode BM.
    J Phys Chem B; 2010 Sep 09; 114(35):11561-9. PubMed ID: 20707370
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