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Volumn 146, Issue , 2010, Pages 263-281

Water reorientation, hydrogen-bond dynamics and 2D-IR spectroscopy next to an extended hydrophobic surface

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EID: 77955188370     PISSN: 13596640     EISSN: 13645498     Source Type: Journal    
DOI: 10.1039/b925673c     Document Type: Article
Times cited : (97)

References (68)
  • 1
    • 26944481188 scopus 로고    scopus 로고
    • D. Chandler Nature 2005 437 640 647
    • (2005) Nature , vol.437 , pp. 640-647
    • Chandler, D.1
  • 28
    • 35748960831 scopus 로고    scopus 로고
    • The simulations used to calculate the spectra involved a smaller number of water molecules (500 instead of 1500) and infinite plates (obtained by adjusting the box size to the plate lattice parameters and periodic boundary conditions). The resulting distance between the two plates is 2.1 nm, and the water layer is approximately 1.2 nm thick. Although this confinement very slightly slows down the water dynamics, we verified that the vibrational spectra and their relaxation dynamics are not affected
    • J. R. Schmidt S. T. Roberts J. J. Loparo A. Tokmakoff M. D. Fayer J. L. Skinner Chem. Phys. 2007 341 143 157
    • (2007) Chem. Phys. , vol.341 , pp. 143-157
    • Schmidt, J.R.1    Roberts, S.T.2    Loparo, J.J.3    Tokmakoff, A.4    Fayer, M.D.5    Skinner, J.L.6
  • 43
    • 2742537697 scopus 로고    scopus 로고
    • It was recently shown42 that interpretation of experimental neutron scattering results43 with our jump model leads to reorientation times in agreement with those obtained through other techniques, while their original interpretation with the Debye rotational diffusion picture lead to times twice shorter Our jump reorientation mechanism contrasts with previous suggestions, such as ref. 44, as detailed in ref. 16
    • A. Luzar Faraday Discuss. 1996 103 29 40
    • (1996) Faraday Discuss. , vol.103 , pp. 29-40
    • Luzar, A.1
  • 50
    • 0034504583 scopus 로고    scopus 로고
    • Approximating the back reaction from B′ by a rate equation leads to a simple system of linear differential equations, in contrast to the explicit consideration of diffusion which requires a resolution through Laplace transforms.51,53 This was already observed and discussed in section IV.2. by examining the time dependent probability for an OH to form an angle with respect to its initial orientation, as shown in Fig. 4a
    • A. Luzar J. Chem. Phys. 2000 113 10663 10675
    • (2000) J. Chem. Phys. , vol.113 , pp. 10663-10675
    • Luzar, A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.