Saurabh Kumar Singh
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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