Quantum chemical design of open-shell nonlinear optical materials

Project: Research

Project Details

Description

Financement F.R.S.-FNRS - JSPS
StatusFinished
Effective start/end date1/04/1431/03/16

Research Output

A theoretical study on quasi-one-dimensional open-shell singlet ladder oligomers: multi-radical nature, aromaticity and second hyperpolarizability

Fukuda, K., Fujiyoshi, J. Y., Matsui, H., Nagami, T., Takamuku, S., Kitagawa, Y., Champagne, B. & Nakano, M., 1 May 2017, In : Organic Chemistry Frontiers. 4, 5, p. 779-789 11 p.

Research output: Contribution to journalArticle

  • Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems

    Nakano, M., Fukuda, K., Ito, S., Matsui, H., Nagami, T., Takamuku, S., Kitagawa, Y. & Champagne, B., 2017, In : Journal of physical chemistry A. 121, 4, p. 861-873 13 p.

    Research output: Contribution to journalArticle

  • Theoretical investigation of curved π-conjugated fullerene flakes: open-shell character, aromaticity, and third-order nonlinear optical property

    Fukuda, K., Fujiyoshi, J. Y., Minamida, Y., Nagami, T., Matsui, H., Ito, S., Kishi, R., Kitagawa, Y., Champagne, B. & Nakano, M., 1 Apr 2017, In : Journal of Physical Organic Chemistry. 30, 4, e3581.

    Research output: Contribution to journalArticle

  • Projects

    PAI n°P7/05 - FS2: Functional Supramolecular Systems (FS2)

    CHAMPAGNE, B., De Vos, D., Van der Auweraer, M., Jérôme, C., Lazzaroni, R., Marin, G., Jonas, A., Du Prez, F., Vanderzande, D., Van Tendeloo, G., Van Speybroeck, V., NENON, S. & STAELENS, N.

    1/04/1230/09/17

    Project: Research

    Equipment