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Chirp-driven vibrational distribution in transition metal carbonyl complexes

✍ Scribed by Gollub, C. ;Korff, B. M. R. ;Kompa, K. L. ;Vivie-Riedle, R. de


Book ID
119957537
Publisher
Royal Society of Chemistry
Year
2007
Tongue
English
Weight
1008 KB
Volume
9
Category
Article
ISSN
1463-9076

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Vibrational center–ligand couplings in t
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The mode-tracking principle [J. Chem. Phys. 2003, 118, 1634] for the direct quantum chemical calculation of preselected, characteristic molecular vibrations makes vibrational analyses of very large molecules feasible. This is demonstrated here for the [(Ph(3)PAu)(6)C](2+) complex, in which 18 phenyl