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S polarization is defined as having an electric vector perpendicular to both the incident wavevector k and the outward surface normal n, whereas P polarization is defined as S × k and lies in the plane of incidence.
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4344715917
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We identify certain commercial equipment, instruments, or materials in this article to specify adequately the experimental procedure. In no case does such identification imply recommendation or endorsement by the National Institute of Standards and Technology, nor does it imply that the materials or equipment identified are necessarily the best available for the purpose.
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4344645085
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note
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The Raman polarizability derivative is symmetric within the approximations employed in Gaussian 98.
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Uncertainties are 1 SD on the basis of the diagonal elements of the error matrix.
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50
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4344598694
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note
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s) = tan ψ exp[iΔ].
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51
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4344674472
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note
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The values n ≈ 1.50 and t ≈ 2.3 nm are consistent with J. Shi et al., ref 52.
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Reported error bars are 1 σ averaged over the three independent sample sets.
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In Table 3 of Appendix I, there is an error in the correction applied to the nitro modes to account for the transition dipole orientation. If the transition dipole orientation calculated in our work is used to analyze the IR data of I, an orientation for the nitro-OPE of θ = 33° ± 9° and ψ 65° ± 30° is obtained.
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