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Journal Abstract Search

107 related items for PubMed ID: 18020442

  • 21. The influence of macromolecular crowding on thermodynamic activity: solubility and dimerization constants for spherical and dumbbell-shaped molecules in a hard-sphere mixture.
    Berg OG.
    Biopolymers; 1990; 30(11-12):1027-37. PubMed ID: 2081264
    [Abstract] [Full Text] [Related]

  • 22. Free energy of transfer of hydrated ion clusters from water to an immiscible organic solvent.
    Rose D, Benjamin I.
    J Phys Chem B; 2009 Jul 09; 113(27):9296-303. PubMed ID: 19534541
    [Abstract] [Full Text] [Related]

  • 23. A linear scaling study of solvent-solute interaction energy of drug molecules in aqua solution.
    Bondesson L, Rudberg E, Luo Y, Sałek P.
    J Phys Chem B; 2007 Aug 30; 111(34):10320-8. PubMed ID: 17676891
    [Abstract] [Full Text] [Related]

  • 24. The importance of excluded solvent volume effects in computing hydration free energies.
    Yang PK, Lim C.
    J Phys Chem B; 2008 Nov 27; 112(47):14863-8. PubMed ID: 18956834
    [Abstract] [Full Text] [Related]

  • 25. Geometrical characteristics of the enlarged fused hard sphere models of simple molecules.
    Boublík T.
    J Phys Chem B; 2005 Oct 20; 109(41):19437-42. PubMed ID: 16853511
    [Abstract] [Full Text] [Related]

  • 26. A reversible minimum-to-minimum mapping method for the calculation of free-energy differences.
    Theodorou DN.
    J Chem Phys; 2006 Jan 21; 124(3):034109. PubMed ID: 16438569
    [Abstract] [Full Text] [Related]

  • 27. The free volume of poly(vinyl methylether) as computed in a wide temperature range and at length scales up to the nanoregion.
    Račko D, Capponi S, Alvarez F, Colmenero J.
    J Chem Phys; 2011 Jan 28; 134(4):044512. PubMed ID: 21280753
    [Abstract] [Full Text] [Related]

  • 28. Free-energy calculation of structure-H hydrates.
    Okano Y, Yasuoka K.
    J Chem Phys; 2006 Jan 14; 124(2):024510. PubMed ID: 16422614
    [Abstract] [Full Text] [Related]

  • 29. Electrostatic free energy and its variations in implicit solvent models.
    Che J, Dzubiella J, Li B, McCammon JA.
    J Phys Chem B; 2008 Mar 13; 112(10):3058-69. PubMed ID: 18275182
    [Abstract] [Full Text] [Related]

  • 30. The free-volume structure of a polymer melt, poly(vinyl methylether) from molecular dynamics simulations and cavity analysis.
    Racko D, Capponi S, Alvarez F, Colmenero J, Bartos J.
    J Chem Phys; 2009 Aug 14; 131(6):064903. PubMed ID: 19691407
    [Abstract] [Full Text] [Related]

  • 31. Basis set dependence of solute-solvent interaction energy of benzene in water: a HF/DFT study.
    Bondesson L, Rudberg E, Luo Y, Słek P.
    J Comput Chem; 2008 Aug 14; 29(11):1725-32. PubMed ID: 18307170
    [Abstract] [Full Text] [Related]

  • 32. Molecules: what kind of a bag of atoms?
    Chowdary PD, Gruebele M.
    J Phys Chem A; 2009 Nov 26; 113(47):13139-43. PubMed ID: 19588898
    [Abstract] [Full Text] [Related]

  • 33. Efficient free energy calculations on small molecule host-guest systems - a combined linear interaction energy/one-step perturbation approach.
    Oostenbrink C.
    J Comput Chem; 2009 Jan 30; 30(2):212-21. PubMed ID: 18785242
    [Abstract] [Full Text] [Related]

  • 34. Application of linear solvation energy relationships to a custom-made polyaniline solid-phase microextraction fiber and three commercial fibers.
    Yeatts JL, Baynes RE, Xia XR, Riviere JE.
    J Chromatogr A; 2008 Apr 25; 1188(2):108-17. PubMed ID: 18328492
    [Abstract] [Full Text] [Related]

  • 35. Thermodynamic stability of type-I and type-II clathrate hydrates depending on the chemical species of the guest substances.
    Miyoshi T, Imai M, Ohmura R, Yasuoka K.
    J Chem Phys; 2007 Jun 21; 126(23):234506. PubMed ID: 17600424
    [Abstract] [Full Text] [Related]

  • 36. Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water: a novel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation.
    Takahashi H, Ohno H, Kishi R, Nakano M, Matubayasi N.
    J Chem Phys; 2008 Nov 28; 129(20):205103. PubMed ID: 19045881
    [Abstract] [Full Text] [Related]

  • 37. Charge-scaled cavities in polarizable continuum model: determination of acid dissociation constants for platinum-amino acid complexes.
    Zimmermann T, Burda JV.
    J Chem Phys; 2009 Oct 07; 131(13):135101. PubMed ID: 19814573
    [Abstract] [Full Text] [Related]

  • 38. Computation of binding free energy with molecular dynamics and grand canonical Monte Carlo simulations.
    Deng Y, Roux B.
    J Chem Phys; 2008 Mar 21; 128(11):115103. PubMed ID: 18361618
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  • 39. Distance and orientation dependence of excitation energy transfer: from molecular systems to metal nanoparticles.
    Saini S, Srinivas G, Bagchi B.
    J Phys Chem B; 2009 Feb 19; 113(7):1817-32. PubMed ID: 19128043
    [Abstract] [Full Text] [Related]

  • 40. The importance of polarizability in the modeling of solubility: quantifying the effect of solute polarizability on the solubility of small nonpolar solutes in popular models of water.
    Dyer PJ, Docherty H, Cummings PT.
    J Chem Phys; 2008 Jul 14; 129(2):024508. PubMed ID: 18624539
    [Abstract] [Full Text] [Related]

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