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Journal Abstract Search

677 related items for PubMed ID: 18646800

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  • 3. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
    Nguyen MT, Matus MH, Jackson VE, Vu TN, Rustad JR, Dixon DA.
    J Phys Chem A; 2008 Oct 16; 112(41):10386-98. PubMed ID: 18816037
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  • 7. Continuum solvation models in the linear interaction energy method.
    Carlsson J, Andér M, Nervall M, Aqvist J.
    J Phys Chem B; 2006 Jun 22; 110(24):12034-41. PubMed ID: 16800513
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  • 8. Calculation of the solvation free energy of neutral and ionic molecules in diverse solvents.
    Lee S, Cho KH, Lee CJ, Kim GE, Na CH, In Y, No KT.
    J Chem Inf Model; 2011 Jan 24; 51(1):105-14. PubMed ID: 21133372
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  • 9. Absolute solvation free energy of Li+ and Na+ ions in dimethyl sulfoxide solution: a theoretical ab initio and cluster-continuum model study.
    Westphal E, Pliego JR.
    J Chem Phys; 2005 Aug 15; 123(7):074508. PubMed ID: 16229602
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  • 14. Cluster-Continuum Calculations of Hydration Free Energies of Anions and Group 12 Divalent Cations.
    Riccardi D, Guo HB, Parks JM, Gu B, Liang L, Smith JC.
    J Chem Theory Comput; 2013 Jan 08; 9(1):555-69. PubMed ID: 26589054
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  • 15. Ab initio studies on the mechanism of the size-dependent hydrogen-loss reaction in Mg+(H2O)n.
    Siu CK, Liu ZF.
    Chemistry; 2002 Jul 15; 8(14):3177-86. PubMed ID: 12203347
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  • 18. Mechanistic aspects of propene epoxidation by hydrogen peroxide. Catalytic role of water molecules, external electric field, and zeolite framework of TS-1.
    Stare J, Henson NJ, Eckert J.
    J Chem Inf Model; 2009 Apr 15; 49(4):833-46. PubMed ID: 19267473
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  • 20. Are mixed explicit/implicit solvation models reliable for studying phosphate hydrolysis? A comparative study of continuum, explicit and mixed solvation models.
    Kamerlin SC, Haranczyk M, Warshel A.
    Chemphyschem; 2009 May 11; 10(7):1125-34. PubMed ID: 19301306
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