Electron correlation and solvent effects on the linear and nonlinear optical properties of diradical and multiradical organic compounds

Project: PHD

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2014
Analysis of the resonant raman spectra of viologens and of their radical cations using range-separated hybrid density functionals
Romanova, J., Liégeois, V. & Champagne, B., 2014, In: Journal of Physical Chemistry C: Nanomaterials and interfaces. 118, 23, p. 12469-12484 16 p.
Research output: Contribution to journal › Article › peer-review
Resonant Raman spectra of molecules with diradical character: Multiconfigurational wavefunction investigation of neutral viologens
Romanova, J., Liégeois, V. & Champagne, B., 2014, In: Physical chemistry chemical physics : PCCP. 16, 39, p. 21721-31 11 p.
Research output: Contribution to journal › Article › peer-review
2 Downloads (Pure)
2015
PPV Polymerization through the Gulch Route: Diradical Character of Monomers
Nikolic, J. D., Wouters, S., Romanova, J., Shimizu, A., Champagne, B., Junkers, T., Vanderzande, D., Van Neck, D., Waroquier, M., Van Speybroeck, V. & Catak, S., 21 Dec 2015, In: Chemistry: A European Journal. 21, 52, p. 19176-19185 10 p.
Research output: Contribution to journal › Article › peer-review

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