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0343823625
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note
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Our calculated chemisorption energies are useful only qualitatively since previous work [22] has shown that such calculated energies with small cluster models can have errors of 5 kcal/mol or more. However, our calculated vibrational frequencies (e.g., Si-H stretch) are expected to be accurate since the scaling factors used to correct them for systematic errors (see footnote, Table I) are also derived from similar small cluster models.
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24
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0343823626
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note
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2 + H as the dominant surface configuration agrees with the recent interpretation, via density functional slab calculations [32], of previously published N 1s core-level shifts as unique to the opposed configuration.
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26
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0342518363
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note
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x) arising from H-bonding interactions.
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27
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0342952529
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note
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3 after sequential exposures to achieve the saturated overlayer in Fig. 1(d).
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28
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0342518360
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note
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2 + H configuration.
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29
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0342518362
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to be published
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Similar adsorbate alignment effects have recently been observed via scanning tunneling microscopy for propylene adsorption on Si(100); G. P. Lopinski and R. A. Wolkow (to be published).
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