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Infrared Spectroscopy of N-Methylacetamide Revisited by ab Initio Molecular Dynamics Simulations.
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Polarizable atomistic calculation of site energy disorder in amorphous Alq3.
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Molecular dynamics simulation of aerosol-OT reverse micelles.
J Phys Chem B. 2009 Nov 12;113(45):15029-39. doi: 10.1021/jp906915q.
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Vibrational spectroscopy and dynamics of water confined inside reverse micelles.
J Phys Chem B. 2009 Nov 12;113(45):15017-28. doi: 10.1021/jp906784t.
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Structure and charging of hydrophobic material/water interfaces studied by phase-sensitive sum-frequency vibrational spectroscopy.
Proc Natl Acad Sci U S A. 2009 Sep 8;106(36):15148-53. doi: 10.1073/pnas.0901480106. Epub 2009 Aug 11.
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Effect of surface charge on the vibrational dynamics of interfacial water.
J Am Chem Soc. 2009 Sep 2;131(34):12034-5. doi: 10.1021/ja903340e.
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On the structure of water at the aqueous/air interface.
J Phys Chem B. 2009 Aug 27;113(34):11672-9. doi: 10.1021/jp900117t.

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