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Article

Hanson-Heine, Magnus W.D. and George, Michael W. and Besley, Nicholas A. (2018) Basis sets for the calculation of core-electron binding energies. Chemical Physics Letters, 699 . pp. 279-285. ISSN 0009-2614

Hanson-Heine, Magnus W.D. and George, Michael W. and Besley, Nicholas A. (2018) Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes. Chemical Physics Letters . ISSN 0009-2614

Hanson-Heine, Magnus W.D. and George, Michael W. and Besley, Nicholas A. (2018) Assessment of time-dependent density functional theory with the restricted excitation space approximation for excited state calculations of large systems. Molecular Physics, 116 (11). pp. 1452-1459. ISSN 1362-3028

Reinhard, Marco and Auböck, Gerald and Besley, Nicholas A. and Clark, Ian P. and Greetham, Gregory M. and Hanson-Heine, Magnus W.D. and Horvath, Raphael and Murphy, Thomas S. and Penfold, Thomas J. and Towrie, Michael and George, Michael W. and Chergui, Majed (2017) Photoaquation mechanism of hexacyanoferrate(II) ions: ultrafast 2D UV and transient visible and IR spectroscopies. Journal of the American Chemical Society, 139 (21). pp. 7335-7347. ISSN 1520-5126

Hanson-Heine, Magnus W.D. and George, Michael W. and Besley, Nicholas A. (2017) Kohn-Sham density functional theory calculations of non-resonant and resonant X-ray emission spectroscopy. Journal of Chemical Physics, 146 (9). 094106. ISSN 1089-7690

Sadoon, Ahmed M. and Sarma, Gautam and Cunningham, Ethan M. and Tandy, Jon and Hanson-Heine, Magnus W.D. and Besley, Nicholas A. and Yang, Shengfu and Ellis, Andrew M. (2016) Infrared spectroscopy of NaCl(CH3OH)n complexes in helium nanodroplets. Journal of Physical Chemistry A, 120 (41). pp. 8085-8092. ISSN 1520-5215

Hanson-Heine, Magnus W.D. and Husseini, Fouad S. and Hirst, J.D. and Besley, Nicholas A. (2016) Simulation of the two-dimensional infrared spectroscopy of peptides using localized normal modes. Journal of Chemical Theory and Computation, 12 (4). pp. 1905-1918. ISSN 1549-9626

Hanson-Heine, Magnus W.D. and Wrigglesworth, Alisdair and Uroos, Maliha and Calladine, James A. and Murphy, Thomas S. and Hamilton, Michelle and Clark, Ian P. and Towrie, Michael and Dowden, James and Besley, Nicholas A. and George, Michael W. (2015) Calculating singlet excited states: comparison with fast time-resolved infrared spectroscopy of coumarins. Journal of Chemical Physics, 142 (15). 154119/1-154119-7. ISSN 0021-9606

Summers, Peter A. and Dawson, Joe and Ghiotto, Fabio and Hanson-Heine, Magnus W.D. and Vuong, Khuong Q. and Davies, E. Stephen and Sun, Xue-Z. and Besley, Nicholas A. and McMaster, Jonathan and George, Michael W. and Schröder, Martin (2014) Photochemical dihydrogen production using an analogue of the active site of [NiFe] hydrogenase. Inorganic Chemisry, 53 (9). pp. 4430-4439. ISSN 0020-1669

Hanson-Heine, Magnus W.D. and George, Michael W. and Besley, Nicholas A. (2013) Calculating excited state properties using Kohn-Sham density functional theory. Journal of Chemical Physics, 138 (6). 064101/1-064101/8. ISSN 0021-9606

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