| Probing the photophysical capability of mono and bis (cyclometallated) Fe (II) polypyridine complexes using inexpensive ground state DFT IM Dixon, S Khan, F Alary, M Boggio-Pasqua, JL Heully Dalton Transactions 43 (42), 15898-15905, 2014 | 57 | 2014 |
| Systematic theoretical investigation of the zero-field splitting in Gd (III) complexes: Wave function and density functional approaches S Khan, A Kubica-Misztal, D Kruk, J Kowalewski, M Odelius The Journal of chemical physics 142 (3), 2015 | 25 | 2015 |
| An ab initio CASSCF study of zero field splitting fluctuations in the octet ground state of aqueous [Gd (iii)(HPDO3A)(H2O)] S Khan, R Pollet, R Vuilleumier, J Kowalewski, M Odelius The Journal of Chemical Physics 147 (24), 2017 | 13 | 2017 |
| Zero-field splitting in the isoelectronic aqueous Gd (III) and Eu (II) complexes from a first principles analysis S Khan, V Peters, J Kowalewski, M Odelius Chemical Physics 503, 56-64, 2018 | 5 | 2018 |
| Combined Quantum Mechanical and Molecular Dynamics study of paramagnetic complexes: Towards an understanding of electronic spin relaxation S Khan Department of Physics, Stockholm University, 2018 | 1 | 2018 |
| Zero-Field Splitting in Gd (III) complexes: Towards a molecular understanding of paramagnetic relaxation S Khan Department of Physics, Stockholm University, 2015 | 1 | 2015 |
| A complete normal mode analysis of the Zero-Field Splitting in paramagnetic hexaaqua Mn (II) and Ni (II) complexes S Khan, J Kowalewski, M Odelius | | 2018 |
| An ab initio CASSCF study of Zero Field Splitting Fluctuations in the Octet Ground State of Aqueous S Khan, R Pollet, R Vuilleumier, J Kowalewski, M Odelius | | |
