Application of quantum chemical calculations to two non-trivial cases in the field of molecular spectroscopy

DOI10.3233/JCM-2009-0229zbMath1180.81139OpenAlexW2129038060WikidataQ127984737 ScholiaQ127984737MaRDI QIDQ3181669

J. P. Cornard, C. Lapouge

Publication date: 12 October 2009

Published in: Journal of Computational Methods in Sciences and Engineering (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.3233/jcm-2009-0229

zbMATH Keywords

TD-DFTmetal complexationreaction pathwayresonance Raman intensitytransient species

Mathematics Subject Classification ID

Electromagnetic interaction; quantum electrodynamics (81V10)

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