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279 related items for PubMed ID: 23076434

  • 1. Atomic scale characterization of interfacial water near an oxide surface using molecular dynamics simulations.
    Deshmukh SA, Sankaranarayanan SK.
    Phys Chem Chem Phys; 2012 Nov 28; 14(44):15593-605. PubMed ID: 23076434
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  • 5. Comparison of the interfacial dynamics of water sandwiched between static and free-standing fully flexible graphene sheets.
    Deshmukh SA, Kamath G, Sankaranarayanan SK.
    Soft Matter; 2014 Jun 21; 10(23):4067-83. PubMed ID: 24845025
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  • 6. Strong electric fields at a prototypical oxide/water interface probed by ab initio molecular dynamics: MgO(001).
    Laporte S, Finocchi F, Paulatto L, Blanchard M, Balan E, Guyot F, Saitta AM.
    Phys Chem Chem Phys; 2015 Aug 21; 17(31):20382-90. PubMed ID: 26193818
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  • 7. Structural characterization of interfacial n-octanol and 3-octanol using molecular dynamic simulations.
    Napoleon RL, Moore PB.
    J Phys Chem B; 2006 Mar 02; 110(8):3666-73. PubMed ID: 16494422
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  • 8. Structure and vibrational spectra of small water clusters from first principles simulations.
    Kang D, Dai J, Hou Y, Yuan J.
    J Chem Phys; 2010 Jul 07; 133(1):014302. PubMed ID: 20614964
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  • 9. Theoretical vibrational sum-frequency generation spectroscopy of water near lipid and surfactant monolayer interfaces. II. Two-dimensional spectra.
    Roy S, Gruenbaum SM, Skinner JL.
    J Chem Phys; 2014 Dec 14; 141(22):22D505. PubMed ID: 25494776
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  • 10. Structural properties of hydration shell around various conformations of simple polypeptides.
    Czapiewski D, Zielkiewicz J.
    J Phys Chem B; 2010 Apr 08; 114(13):4536-50. PubMed ID: 20232827
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  • 11. Dynamics of water clusters confined in proteins: a molecular dynamics simulation study of interfacial waters in a dimeric hemoglobin.
    Gnanasekaran R, Xu Y, Leitner DM.
    J Phys Chem B; 2010 Dec 23; 114(50):16989-96. PubMed ID: 21126033
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  • 15. Influence of surface polarity on water dynamics at the water/rutile TiO₂(110) interface.
    Ohto T, Mishra A, Yoshimune S, Nakamura H, Bonn M, Nagata Y.
    J Phys Condens Matter; 2014 Jun 18; 26(24):244102. PubMed ID: 24862873
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  • 18. An ab initio molecular dynamics study on hydrogen bonds between water molecules.
    Pan Z, Chen J, Lü G, Geng YZ, Zhang H, Ji Q.
    J Chem Phys; 2012 Apr 28; 136(16):164313. PubMed ID: 22559488
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  • 19. Molecular level properties of the free water surface and different organic liquid/water interfaces, as seen from ITIM analysis of computer simulation results.
    Hantal G, Darvas M, Pártay LB, Horvai G, Jedlovszky P.
    J Phys Condens Matter; 2010 Jul 21; 22(28):284112. PubMed ID: 21399284
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  • 20. Dynamics of bound and free water in an aqueous micellar solution: analysis of the lifetime and vibrational frequencies of hydrogen bonds at a complex interface.
    Pal S, Balasubramanian S, Bagchi B.
    Phys Rev E Stat Nonlin Soft Matter Phys; 2003 Jun 21; 67(6 Pt 1):061502. PubMed ID: 16241228
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