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Results for Electronic structure

Publications & Outputs

  1. Mesoscopic simulations of thein situNMR spectra of porous carbon based supercapacitors: electronic structure and adsorbent reorganisation effects

    Sasikumar, A., Belhboub, A., Bacon, C., Forse, A. C., Griffin, J. M., Grey, C. P., Simon, P. & Merlet, C., 14/08/2021, In: Physical Chemistry Chemical Physics. 23, 30, p. 15925-15934 10 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  2. Development of Density Functional Methods for Electronic Excited States and the Influence of Molecular Structure on Electronic Excited States

    Fletcher, P., 2021, Lancaster University. 176 p.

    Research output: Thesis › Doctoral Thesis

  3. All-electron CASPT2 study of Ce(eta(8)-C8H6)(2)

    Kerridge, A. & Kaltsoyannis, N., 06/2010, In: Comptes Rendus Chimie. 13, 6-7, p. 853-859 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  4. Pronounced electrochemical amphotericity of a fused donor-acceptor compound: A planar merge of TTF with a TCNQ-Ttype bithienoquinoxaline

    Guégano, X., Kanibolotsky, A. L., Blum, C., Mertens, S. F. L., Liu, S.-X., Neels, A., Hagemann, H., Skabara, P. J., Leutwyler, S., Wandlowski, T., Hauser, A. & Decurtins, S., 2009, In: Chemistry - A European Journal. 15, 1, p. 63-66 4 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review