Journal Articles

Kimber, P and Plasser, F (2023) Energy component analysis for electronically excited states of molecules: why the lowest excited state is not always the HOMO/LUMO transition, Journal of Chemical Theory and Computation, 19(8), pp.2340-2352, ISSN: 1549-9618. DOI: 10.1021/acs.jctc.3c00125.

Coles, SJ, Horton, PN, Kimber, P, Klooster, WT, Liu, P, Plasser, F, Smith, M, Tizzard, GJ (2022) Reversible P–P bond cleavage at an iridium(iii) metal centre, Chemical Communications, 58(37), pp.5598-5601, ISSN: 1359-7345. DOI: 10.1039/d2cc00706a.

Kimber, P, Goddard, P, Wright, I, Plasser, F (2021) The role of excited-state character, structural relaxation, and symmetry breaking in enabling delayed fluorescence activity in push-pull chromophores, Physical Chemistry Chemical Physics, 23(46), pp.26135-26150, ISSN: 1463-9076. DOI: 10.1039/d1cp03792g.

Kimber, P and Plasser, F (2020) Toward an understanding of electronic excitation energies beyond the molecular orbital picture, Physical Chemistry Chemical Physics, 22(11), pp.6058-6080, ISSN: 1463-9076. DOI: 10.1039/D0CP00369G.

Datasets

Kimber, P and Plasser, F (2023) Supplementary information files for Energy component analysis for electronically excited states of molecules: why the lowest excited state is not always the HOMO/LUMO transition, DOI: 10.17028/rd.lboro.24428161.

Plasser, F and Kimber, P (2023) Research data for “Excited-state energy component analysis for molecules – Why the lowest excited state is not always the HOMO-LUMO transition”, DOI: 10.17028/rd.lboro.21976340.

Other

Kimber, P and Plasser, F Toward an understanding of electronic excitation energies beyond the molecular orbital picture,

Can we gain an intuitive understanding of excitation energies beyond the molecular picture?

. DOI: 10.1039/d0cp00369g.