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Journal Abstract Search

234 related items for PubMed ID: 20707370

  • 21.
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  • 22. 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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  • 24. Hydrogen bond formation of formamide and N-methylformamide in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD).
    Weiss AK, Hofer TS, Randolf BR, Bhattacharjee A, Rode BM.
    Phys Chem Chem Phys; 2011 Jul 14; 13(26):12173-85. PubMed ID: 21647491
    [Abstract] [Full Text] [Related]

  • 25. 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
    [Abstract] [Full Text] [Related]

  • 26. Sulfur dioxide in water: structure and dynamics studied by an ab initio quantum mechanical charge field molecular dynamics simulation.
    Moin ST, Lim LH, Hofer TS, Randolf BR, Rode BM.
    Inorg Chem; 2011 Apr 18; 50(8):3379-86. PubMed ID: 21417290
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  • 27. Quantum mechanical/molecular mechanical simulations of the Tl(III) ion in water.
    Vchirawongkwin V, Hofer TS, Randolf BR, Rode BM.
    J Comput Chem; 2007 Apr 30; 28(6):1057-67. PubMed ID: 17279549
    [Abstract] [Full Text] [Related]

  • 28. 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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  • 30. Gold(I) and mercury(II)-isoelectronic ions with strongly different chemistry: ab initio QMCF molecular dynamics simulations of their hydration structure.
    Lichtenberger PM, Ellmerer AE, Hofer TS, Randolf BR, Rode BM.
    J Phys Chem B; 2011 May 19; 115(19):5993-8. PubMed ID: 21500790
    [Abstract] [Full Text] [Related]

  • 31. 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
    [Abstract] [Full Text] [Related]

  • 32. A QMCF-MD investigation of the structure and dynamics of Ce4+ in aqueous solution.
    Lutz OM, Hofer TS, Randolf BR, Weiss AK, Rode BM.
    Inorg Chem; 2012 Jun 18; 51(12):6746-52. PubMed ID: 22651096
    [Abstract] [Full Text] [Related]

  • 33. Structure and dynamics of the UO(2)(2+) ion in aqueous solution: an ab initio QMCF MD study.
    Frick RJ, Hofer TS, Pribil AB, Randolf BR, Rode BM.
    J Phys Chem A; 2009 Nov 12; 113(45):12496-503. PubMed ID: 19606826
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  • 36. 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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  • 37.
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  • 38. Structure and dynamics of the Zr(4+) ion in water.
    Messner CB, Hofer TS, Randolf BR, Rode BM.
    Phys Chem Chem Phys; 2011 Jan 07; 13(1):224-9. PubMed ID: 21103539
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  • 39.
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  • 40. Exploring structure and dynamics of the diaquotriamminezinc(II) complex by QM/MM MD simulation.
    Fatmi MQ, Hofer TS, Randolf BR, Rode BM.
    J Phys Chem B; 2008 May 08; 112(18):5788-94. PubMed ID: 18447349
    [Abstract] [Full Text] [Related]

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