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176 related items for PubMed ID: 19479764

  • 1. 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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  • 2. 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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  • 4. Temperature effects on the structural and dynamical properties of the Zn(II)-water complex in aqueous solution: a QM/MM molecular dynamics study.
    Fatmi MQ, Hofer TS, Randolf BR, Rode BM.
    J Phys Chem B; 2006 Jan 12; 110(1):616-21. PubMed ID: 16471574
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  • 6. An extended ab initio QM/MM MD approach to structure and dynamics of Zn(II) in aqueous solution.
    Fatmi MQ, Hofer TS, Randolf BR, Rode BM.
    J Chem Phys; 2005 Aug 01; 123(5):054514. PubMed ID: 16108676
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  • 8. 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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  • 9. Structure-breaking effects of solvated Rb(I) in dilute aqueous solution--an ab initio QM/MM MD approach.
    Hofer TS, Randolf BR, Rode BM.
    J Comput Chem; 2005 Jul 15; 26(9):949-56. PubMed ID: 15858825
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  • 13. 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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  • 14. The Jahn-Teller effect of the Cr(2+) ion in aqueous solution: Ab initio QM/MM molecular dynamics simulations.
    Kritayakornupong C.
    J Comput Chem; 2008 Jan 15; 29(1):115-21. PubMed ID: 17551971
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  • 18. Structural and dynamical aspects of the unsymmetric hydration of Sb(III): an ab initio quantum mechanical charge field molecular dynamics simulation.
    Lim LH, Bhattacharjee A, Asam SS, Hofer TS, Randolf BR, Rode BM.
    Inorg Chem; 2010 Mar 01; 49(5):2132-40. PubMed ID: 20121188
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