INDO calculations of small copper clusters and CO adsorbed on copper(100) surfaces

Persson, Petter; Bustad, Johnny; Zerner, Michael C.

doi:10.1002/1096-987x(20001115)21:14<1221::aid-jcc1>3.3.co;2-r

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“…9, 10, and 11, including the XAS spectra of C 60 . 12 ZINDO has also been used to study clusters and model surfaces containing transition metal atoms, 13,14 including TiO 2 . 15 The XAS spectrum of isolated bi-isonicotinic acid was calculated for the cis and trans conformers, as well as for a 90°twisted bi-isonicotinic acid molecule.…”

Section: Experimental and Theoretical Detailsmentioning

confidence: 99%

N 1s x-ray absorption study of the bonding interaction of bi-isonicotinic acid adsorbed on rutile TiO2(110)

Persson

Lunell

Brühwiler

et al. 2000

The Journal of Chemical Physics

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