| Computational design of two-dimensional perovskites with functional organic cations S Maheshwari, TJ Savenije, N Renaud, FC Grozema The Journal of Physical Chemistry C 122 (30), 17118-17122, 2018 | 56 | 2018 |
| The relation between rotational dynamics of the organic cation and phase transitions in hybrid halide perovskites S Maheshwari, MB Fridriksson, S Seal, J Meyer, FC Grozema The Journal of Physical Chemistry C 123 (23), 14652-14661, 2019 | 45 | 2019 |
| Lead-Halide Perovskites Meet Donor–Acceptor Charge-Transfer Complexes N Marchal, W Van Gompel, MC Gélvez-Rueda, K Vandewal, K Van Hecke, ... Chemistry of Materials 31 (17), 6880-6888, 2019 | 40 | 2019 |
| The effect of the magnitude and direction of the dipoles of organic cations on the electronic structure of hybrid halide perovskites S Maheshwari, S Patwardhan, GC Schatz, N Renaud, FC Grozema Physical Chemistry Chemical Physics 21 (30), 16564-16572, 2019 | 24 | 2019 |
| Structural Dynamics of Two-Dimensional Ruddlesden–Popper Perovskites: A Computational Study MB Fridriksson, S Maheshwari, FC Grozema The Journal of Physical Chemistry C 124 (40), 22096-22104, 2020 | 15 | 2020 |
| Electronic mobility and crystal structures of 2, 5-dimethylanilinium triiodide and tin-based organic-inorganic hybrid compounds ME Kamminga, MC Gélvez-Rueda, S Maheshwari, IS van Droffelaar, ... Journal of Solid State Chemistry 270, 593-600, 2019 | 12 | 2019 |
| Insights into the C–H⋯ F–C hydrogen bond by Cambridge Structural Database analyses and computational studies S Dev, S Maheshwari, AR Choudhury RSC Advances 5 (34), 26932-26940, 2015 | 11 | 2015 |
| “Organic fluorine” in stabilizing crystal structures: Does it matter? A Roychoudhury, G Kaur, HR Yadav, M Karanam, S Maheshwari, S Dev Acta Crystallographica Section A: Foundations and Advances 73, C1291-C1291, 2017 | | 2017 |
| Computational Study of Structure, Stability, and Energetics of Model Molecular Complexes Involving C‒H··· F Hydrogen Bonds S Maheshwari IISER-M, 2015 | | 2015 |
| Impact of dipole orientation on the band gap of Perovskites: a density functional study S Maheshwari PSCO Conferentie, 2015 | | 2015 |
| Bulky Organic Cations Leading to One-Dimensional (1D) Perovskites N Marchal, W van Gompel, MC Gélvez-Rueda, K Vandewal, K van Hecke, ... Towards control of the optoelectronic properties of organic-inorganic …, 0 | | |
