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Journal Abstract Search


167 related items for PubMed ID: 20717571

  • 1. Structure and dynamics of the UO2+ ion in aqueous solution: an ab initio QMCF-MD study.
    Frick RJ, Hofer TS, Pribil AB, Randolf BR, Rode BM.
    Phys Chem Chem Phys; 2010 Oct 07; 12(37):11736-43. PubMed ID: 20717571
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  • 5. Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution.
    Fatmi MQ, Hofer TS, Randolf BR, Rode BM.
    J Comput Chem; 2007 Jul 30; 28(10):1704-10. PubMed ID: 17342715
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  • 6. Structure and dynamics of sulfate ion in aqueous solution--an ab initio QMCF MD simulation and large angle X-ray scattering study.
    Vchirawongkwin V, Rode BM, Persson I.
    J Phys Chem B; 2007 Apr 26; 111(16):4150-5. PubMed ID: 17402778
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  • 9. On the structure and dynamics of the hydrated sulfite ion in aqueous solution--an ab initio QMCF MD simulation and large angle X-ray scattering study.
    Eklund L, Hofer TS, Pribil AB, Rode BM, Persson I.
    Dalton Trans; 2012 May 07; 41(17):5209-16. PubMed ID: 22415245
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  • 10. 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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  • 13. Ab initio quantum mechanical charge field study of hydrated bicarbonate ion: structural and dynamical properties.
    Vchirawongkwin V, Pribil AB, Rode BM.
    J Comput Chem; 2010 Jan 30; 31(2):249-57. PubMed ID: 19434738
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  • 14. Structure and dynamics of Au+ ion in aqueous solution: ab initio QM/MM MD simulations.
    Armunanto R, Schwenk CF, Tran HT, Rode BM.
    J Am Chem Soc; 2004 Mar 03; 126(8):2582-7. PubMed ID: 14982468
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  • 15. Structure and dynamics of phosphate ion in aqueous solution: an ab initio QMCF MD study.
    Pribil AB, Hofer TS, Randolf BR, Rode BM.
    J Comput Chem; 2008 Nov 15; 29(14):2330-4. PubMed ID: 18473325
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  • 18. 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. 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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  • 20. Tl(I)-the strongest structure-breaking metal ion in water? A quantum mechanical/molecular mechanical simulation study.
    Vchirawongkwin V, Hofer TS, Randolf BR, Rode BM.
    J Comput Chem; 2007 Apr 30; 28(6):1006-16. PubMed ID: 17269122
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