| Covalency and chemical bonding in transition metal complexes: an ab initio based ligand field perspective FN Saurabh Kumar Singh, Julien Eng, Mihail Atanasov Coordination Chemistry Reviews 344, 2-25, 2017 | 174 | 2017 |
| Enhancing the Effective Energy Barrier of a Dy (III) SMM Using a Bridged Diamagnetic Zn (II) ion M Shanmugam, A Upadhyay, SK Singh, C Das, R Mondol, S Langley, ... Chemical Communications, 2014 | 144 | 2014 |
| Density functional studies on dinuclear {NiIIGdIII} and trinuclear {NiIIGdIIINiII} complexes: magnetic exchange and magneto-structural maps SK Singh, NK Tibrewal, G Rajaraman Dalton Trans. 40, 10897-10906, 2011 | 129 | 2011 |
| A synthetic strategy for switching the single ion anisotropy in tetrahedral Co (II) complexes S Vaidya, A Upadhyay, SK Singh, T Gupta, S Tewary, SK Langley, ... Chemical Communications 51 (18), 3739-3742, 2015 | 111 | 2015 |
| What controls the sign and magnitude of magnetic anisotropy in tetrahedral cobalt (II) single-ion magnets? S Vaidya, S Tewary, SK Singh, SK Langley, KS Murray, Y Lan, ... Inorganic chemistry 55 (19), 9564-9578, 2016 | 99 | 2016 |
| Magnetic anisotropy and mechanism of magnetic relaxation in Er (III) single-ion magnets SK Singh, T Gupta, G Rajaraman Inorganic chemistry 53 (20), 10835-10845, 2014 | 92 | 2014 |
| Fluoride‐Bridged {GdIII3MIII2} (M=Cr, Fe, Ga) Molecular Magnetic Refrigerants KS Pedersen, G Lorusso, JJ Morales, T Weyhermüller, S Piligkos, ... Angewandte Chemie International Edition 53 (9), 2394-2397, 2014 | 80 | 2014 |
| Fluoride‐Bridged {GdIII3MIII2} (M=Cr, Fe, Ga) Molecular Magnetic Refrigerants KS Pedersen, G Lorusso, JJ Morales, T Weyhermüller, S Piligkos, ... Angewandte Chemie International Edition 53 (9), 2394-2397, 2014 | 80 | 2014 |
| Role of the Diamagnetic Zinc (II) Ion in Determining the Electronic Structure of Lanthanide Single‐Ion Magnets MS Apoorva Upadhyay, Chinmoy Das, Shefali Vaidya, Saurabh Kumar Singh ... Chemistry A European Journal 23 (20), 4903 - 4916, 2017 | 70 | 2017 |
| Unprecedented magnetic relaxation via the fourth excited state in low-coordinate lanthanide single-ion magnets: a theoretical perspective SK Singh, T Gupta, M Shanmugam, G Rajaraman Chemical Communications 50 (98), 15513-15516, 2014 | 67 | 2014 |
| Magnetic Relaxation in Single‐Electron Single‐Ion Cerium (III) Magnets: Insights from Ab Initio Calculations SK Singh, T Gupta, L Ungur, G Rajaraman Chemistry–A European Journal 21 (39), 13812-13819, 2015 | 64 | 2015 |
| Challenges in Multireference Perturbation Theory for the Calculations of the g-Tensor of First-Row Transition-Metal Complexes SK Singh, M Atanasov, F Neese Journal of Chemical Theory and Computation 14 (9), 4662-4677, 2018 | 54 | 2018 |
| Origin of SMM behaviour in an asymmetric Er (III) Schiff base complex: a combined experimental and theoretical study C Das, A Upadhyay, S Vaidya, SK Singh, G Rajaraman, M Shanmugam Chemical Communications 51 (28), 6137-6140, 2015 | 53 | 2015 |
| Role of Magnetic Exchange Interactions in the Magnetization Relaxation of {3d–4f} Single‐Molecule Magnets: A Theoretical Perspective SK Singh, MF Beg, G Rajaraman Chemistry–A European Journal 22 (2), 672-680, 2016 | 52 | 2016 |
| Decisive interactions that determine ferro/antiferromagnetic coupling in {3d–4f} pairs: a case study on dinuclear {V (IV)–Gd (III)} complexes SK Singh, G Rajaraman Dalton Transactions 42 (10), 3623-3630, 2013 | 51 | 2013 |
| A computational perspective on magnetic coupling, magneto-structural correlations and magneto-caloric effect of a ferromagnetically coupled {GdIII–GdIII} Pair T Rajeshkumar, SK Singh, G Rajaraman Polyhedron 52, 1299-1305, 2013 | 50 | 2013 |
| Magnetic Anisotropy of Mononuclear Ni(II) Complexes: On the Importance of Structural Diversity and the Structural Distortions. SK Singh, T Gupta, P Badkur, G Rajaraman Chem. Eur. J. 20 (33), 10305-10313, 2014 | 48 | 2014 |
| Deciphering the origin of giant magnetic anisotropy and fast quantum tunnelling in Rhenium (IV) single-molecule magnets SK Singh, G Rajaraman Nature communications 7 (1), 10669, 2016 | 45 | 2016 |
| Role of Halide Ions in the Nature of the Magnetic Anisotropy in Tetrahedral CoII Complexes PGRPMS Shefali Vaidya, Dr. Saurabh Kumar Singh, Pragya Shukla, Kamaluddin Ansari CHEMISTRY - A EUROPEAN JOURNAL 23 (40), 9546–9559, 2017 | 43 | 2017 |
| Observation of Slow Relaxation and Single‐Molecule Toroidal Behavior in a Family of Butterfly‐Shaped Ln4 Complexes S Biswas, S Das, T Gupta, SK Singh, M Pissas, G Rajaraman, ... Chemistry–A European Journal 22 (51), 18532-18550, 2016 | 36 | 2016 |
Rajaraman GopalanIIT Bombay, Powai, Mumbai-400076Verified email at chem.iitb.ac.in
