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Journal Abstract Search

1167 related items for PubMed ID: 19817362

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  • 2. Ionic hydrogen-bond networks and ion solvation. 1. An efficient Monte Carlo/quantum mechanical method for structural search and energy computations: ammonium/water.
    Zhao YL, Meot-Ner Mautner M, Gonzalez C.
    J Phys Chem A; 2009 Mar 26; 113(12):2967-74. PubMed ID: 19243164
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  • 3. Structure, stability, and infrared spectroscopy of (H2O)nNH4(+) clusters: a theoretical study at zero and finite temperature.
    Douady J, Calvo F, Spiegelman F.
    J Chem Phys; 2008 Oct 21; 129(15):154305. PubMed ID: 19045191
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  • 5. Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials.
    Patel SA, Brooks CL.
    J Chem Phys; 2006 May 28; 124(20):204706. PubMed ID: 16774363
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  • 8. Microsolvation of the sodium and iodide ions and their ion pair in acetonitrile clusters: a theoretical study.
    Nguyen TN, Hughes SR, Peslherbe GH.
    J Phys Chem B; 2008 Jan 17; 112(2):621-35. PubMed ID: 18183958
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  • 13. Quantum effects in liquid water from an ab initio-based polarizable force field.
    Paesani F, Iuchi S, Voth GA.
    J Chem Phys; 2007 Aug 21; 127(7):074506. PubMed ID: 17718619
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  • 14. The properties of ion-water clusters. II. Solvation structures of Na+, Cl-, and H+ clusters as a function of temperature.
    Burnham CJ, Petersen MK, Day TJ, Iyengar SS, Voth GA.
    J Chem Phys; 2006 Jan 14; 124(2):024327. PubMed ID: 16422603
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  • 15. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ, Larsen RE, Schwartz BJ.
    J Chem Phys; 2008 Oct 28; 129(16):164505. PubMed ID: 19045282
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  • 17. Classical and quantum mechanical/molecular mechanical molecular dynamics simulations of alanine dipeptide in water: comparisons with IR and vibrational circular dichroism spectra.
    Kwac K, Lee KK, Han JB, Oh KI, Cho M.
    J Chem Phys; 2008 Mar 14; 128(10):105106. PubMed ID: 18345930
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