| SERS and MD simulation studies of a kinase inhibitor demonstrate the emergence of a potential drug discovery tool D Karthigeyan, S Siddhanta, AH Kishore, SSRR Perumal, H Ågren, ... Proceedings of the National Academy of Sciences 111 (29), 10416-10421, 2014 | 46 | 2014 |
| Spin-spin and spin-orbit interactions in nanographene fragments: A quantum chemistry approach S Perumal, B Minaev, H Ågren The Journal of chemical physics 136 (10), 2012 | 44 | 2012 |
| Structural insights into proton conduction in gallic acid–isoniazid cocrystals R Kaur, S Perumal, AJ Bhattacharyya, S Yashonath, TN Guru Row Crystal growth & design 14 (2), 423-426, 2014 | 39 | 2014 |
| Triplet state phosphorescence in tris (8-hydroxyquinoline) aluminum light emitting diode materials S Perumal, B Minaev, H Ågren The Journal of Physical Chemistry C 117 (7), 3446-3455, 2013 | 16 | 2013 |
| Zero-field splitting of compact trimethylenemethane analogue radicals with density functional theory SSRR Perumal Chemical Physics Letters 501 (4-6), 608-611, 2011 | 7 | 2011 |
| Spin–spin coupling in 3b2 state of oxyallyl–A comparative study with trimethylenemethane SSRR Perumal, B Minaev, O Vahtras, H Ågren Computational and Theoretical Chemistry 963 (1), 51-54, 2011 | 5 | 2011 |
| Lewis Base/Acid Coordination Stabilizes Planar 6π Aromatic Si6/P6 PC Parambil, SSRR Perumal Organometallics 39 (16), 2951-2955, 2020 | 4 | 2020 |
| On the instability of iodides of heavy main group atoms in their higher oxidation state PC Parambil, SSRR Perumal Physical Chemistry Chemical Physics 25 (8), 6306-6315, 2023 | 1 | 2023 |
| A molecular dynamics calculation of solid phase of malonic acid: role of hydrogen-bond chains and the elastic constants SSRR Perumal, Y Subramanian Journal of Chemical Sciences 129, 963-974, 2017 | 1 | 2017 |
| Spin-Orbit and Spin-Spin coupling in the triplet state SSRR Perumal KTH Royal Institute of Technology, 2012 | 1 | 2012 |
| Calculation of zero-field splitting and spin selecitvity in the singlet-triplet transitions of small molecules SSRR Perumal International Journal of Quantum Chemistry, 2011 | | 2011 |
| Spin-Spin and Spin-Orbit coupling studies of small species and magnetic system SSRR Perumal KTH, 2010 | | 2010 |
