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Journal Abstract Search

336 related items for PubMed ID: 19203258

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  • 4. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
    Cauët E, Bogatko S, Weare JH, Fulton JL, Schenter GK, Bylaska EJ.
    J Chem Phys; 2010 May 21; 132(19):194502. PubMed ID: 20499974
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  • 5. Structural and dynamical properties of the V(3+) ion in dilute aqueous solution: An ab initio QM/MM molecular dynamics simulation.
    Kritayakornupong C.
    J Comput Chem; 2009 Dec 21; 30(16):2777-83. PubMed ID: 19408283
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  • 10. 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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  • 12. 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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  • 14. 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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  • 15. 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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  • 18. 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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  • 19. 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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  • 20. Ab initio QM/MM simulation of Ag+ in 18.6% aqueous ammonia solution: structure and dynamics investigations.
    Armunanto R, Schwenk CF, Rode BM.
    J Phys Chem A; 2005 May 26; 109(20):4437-41. PubMed ID: 16833778
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