Saurabh Kumar Singh - Publications

University of Minnesota, Twin Cities, Minneapolis, MN 
Computational Chemistry, Molecular Magnetism, Metal-Organic Frameworks, Relativistic Effects

39 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Acharya J, Ahmed N, Flores Gonzalez J, Kumar P, Cador O, Singh SK, Pointillart F, Chandrasekhar V. Slow magnetic relaxation in a homo dinuclear Dy(III) complex in a pentagonal bipyramidal geometry. Dalton Transactions (Cambridge, England : 2003). PMID 32930277 DOI: 10.1039/D0Dt02881A  0.36
2020 Saber MR, Singh MK, Dunbar KR. Geometrical control of the magnetic anisotropy in six coordinate cobalt complexes. Chemical Communications (Cambridge, England). PMID 32588842 DOI: 10.1039/D0Cc03238G  0.32
2020 Singh MK. Probing the strong magnetic exchange behaviour of transition metal-radical complexes: a DFT case study. Dalton Transactions (Cambridge, England : 2003). PMID 32196046 DOI: 10.1039/D0Dt00262C  0.88
2019 Singh MK, Khatua M, Shukla P, Rajaraman G. A Design Criteria to Achieve a Giant Ising-Type Anisotropy in CoII Encapsulated Metallo-Fullerenes. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31506987 DOI: 10.1002/Chem.201903618  0.48
2019 Canaj AB, Singh MK, Regincós Marti E, Damjanović M, Wilson C, Céspedes O, Wernsdorfer W, Rajaraman G, Murrie M. Boosting axiality in stable high-coordinate Dy(iii) single-molecule magnets. Chemical Communications (Cambridge, England). PMID 31049540 DOI: 10.1039/C9Cc00965E  0.52
2019 Singh SK, Tiwari KK. Analysis of clinical and radiological features of tuberculosis associated pneumothorax. The Indian Journal of Tuberculosis. 66: 34-38. PMID 30797280 DOI: 10.1016/j.ijtb.2017.01.009  0.01
2019 Singh MK, Rajaraman G. Theoretical Studies on Hexanuclear [M(μ-O/OH)] (M = Fe(III), Mn(III), and Ni(II)) Clusters: Magnetic Exchange, Magnetic Anisotropy, and Magneto-Structural Correlations. Inorganic Chemistry. PMID 30741554 DOI: 10.1021/Acs.Inorgchem.8B03257  0.96
2018 Ghosh S, Mandal S, Singh MK, Liu CM, Rajaraman G, Mohanta S. Experimental and theoretical exploration of magnetic exchange interactions and single-molecule magnetic behaviour of bis(η:η:μ-carboxylate)Gd/Dy systems. Dalton Transactions (Cambridge, England : 2003). PMID 30066015 DOI: 10.1039/C8Dt02008F  0.48
2018 Canaj AB, Singh MK, Wilson C, Rajaraman G, Murrie M. Chemical and in silico tuning of the magnetisation reversal barrier in pentagonal bipyramidal Dy(iii) single-ion magnets. Chemical Communications (Cambridge, England). PMID 29989637 DOI: 10.1039/C8Cc03929A  0.48
2018 Singh MK, Rajeshkumar T, Kumar R, Singh SK, Rajaraman G. Role of (1,3) {Cu-Cu} Interaction on the Magneto-Caloric Effect of Trinuclear {CuII-GdIII-CuII} Complexes: Combined DFT and Experimental Studies. Inorganic Chemistry. PMID 29388766 DOI: 10.1021/Acs.Inorgchem.7B02775  1
2017 Upadhyay A, Vignesh KR, Das C, Singh SK, Rajaraman G, Shanmugam M. Influence of the Ligand Field on the Slow Relaxation of Magnetization of Unsymmetrical Monomeric Lanthanide Complexes: Synthesis and Theoretical Studies. Inorganic Chemistry. PMID 29087710 DOI: 10.1021/Acs.Inorgchem.7B02357  1
2017 Singh SK, Pandey B, Velmurugan G, Rajaraman G. Key role of higher order symmetry and electrostatic ligand field design in the magnetic relaxation of low-coordinate Er(iii) complexes. Dalton Transactions (Cambridge, England : 2003). PMID 28849807 DOI: 10.1039/C6Dt03568J  1
2017 Clerac R, Pedersen K, Wooddruff D, Singh SK, Tressaud A, Durand E, Atanasov M, Perlepe P, Ollefs K, Wilhelm F, Mathonière C, Neese F, Rogalev A, Bendix J. [OsF6]x-: Molecular Models for Spin-Orbit Entangled Phenomena. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28653317 DOI: 10.1002/Chem.201702894  0.12
2017 Shanmugam M, Vaidya S, Singh SK, Shukla P, Ansari K, Rajaraman G. Role of Halide Ions on the Nature of Magnetic Anisotropy in Tetrahedral Co(II) Complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28512770 DOI: 10.1002/Chem.201606031  1
2017 Shanmugam M, Upadhyay A, Das C, Vaidya S, Singh SK, Gupta T, Mondal R, Langley S, Murray K, Rajaraman G. Role of the diamagnetic zinc(II) ion in determining the electronic structure of lanthanide single-ion magnets. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28177539 DOI: 10.1002/Chem.201700399  1
2016 Biswas S, Das S, Gupta T, Singh SK, Pissas M, Rajaraman G, Chandrasekhar V. Observation of Slow Relaxation and Single-Molecule Toroidal Behavior in a Family of Butterfly-Shaped Ln4 Complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 22: 18532-18550. PMID 27943506 DOI: 10.1002/Chem.201603640  1
2016 Singh MK, Rajaraman G. Acquiring a record barrier height for magnetization reversal in lanthanide encapsulated fullerene molecules using DFT and ab initio calculations. Chemical Communications (Cambridge, England). PMID 27854369 DOI: 10.1039/C6Cc08232G  1
2016 Vaidya S, Tewary S, Singh SK, Langley SK, Murray KS, Lan Y, Wernsdorfer W, Rajaraman G, Shanmugam M. What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets? Inorganic Chemistry. PMID 27652694 DOI: 10.1021/Acs.Inorgchem.6B01073  1
2016 Singh SK, Tiwari KK. Etiology of hemoptysis: A retrospective study from a tertiary care hospital from northern Madhya Pradesh, India. The Indian Journal of Tuberculosis. 63: 44-47. PMID 27235944 DOI: 10.1016/j.ijtb.2016.02.007  0.01
2016 Singh SK, Tiwari KK. Tuberculous lymphadenopathy: Experience from the referral center of Northern India. Nigerian Medical Journal : Journal of the Nigeria Medical Association. 57: 134-8. PMID 27226690 DOI: 10.4103/0300-1652.182077  0.01
2016 Singh SK, Agrawal A, Tiwari KK. Improvement in quality of life in pulmonary tuberculosis patients: a prospective study. Tropical Doctor. PMID 27178218 DOI: 10.1177/0049475516643256  0.01
2016 Singh SK, Vignesh KR, Archana V, Rajaraman G. Theoretical insights into the origin of magnetic exchange and magnetic anisotropy in {Re(IV)-M(II)} (M = Mn, Fe, Co, Ni and Cu) single chain magnets. Dalton Transactions (Cambridge, England : 2003). PMID 27096553 DOI: 10.1039/C5Dt04928H  1
2016 Singh SK, Rajaraman G. Deciphering the origin of giant magnetic anisotropy and fast quantum tunnelling in Rhenium(IV) single-molecule magnets. Nature Communications. 7: 10669. PMID 26883278 DOI: 10.1038/Ncomms10669  1
2015 Singh SK, Beg MF, Rajaraman G. Role of Magnetic Exchange Interactions in the Magnetization Relaxation of {3d-4f} Single-Molecule Magnets: A Theoretical Perspective. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26592983 DOI: 10.1002/Chem.201503102  1
2015 Singh MK, Yadav N, Rajaraman G. Record high magnetic exchange and magnetization blockade in Ln2@C79N (Ln = Gd(iii) and Dy(iii)) molecules: a theoretical perspective. Chemical Communications (Cambridge, England). PMID 26490382 DOI: 10.1039/C5Cc06642E  0.52
2015 Singh SK, Gupta T, Ungur L, Rajaraman G. Magnetic Relaxation in Single-Electron Single-Ion Cerium(III) Magnets: Insights from Ab Initio Calculations. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26262751 DOI: 10.1002/Chem.201501330  1
2015 Das C, Upadhyay A, Vaidya S, Singh SK, Rajaraman G, Shanmugam M. Origin of SMM behaviour in an asymmetric Er(III) Schiff base complex: a combined experimental and theoretical study. Chemical Communications (Cambridge, England). 51: 6137-40. PMID 25750980 DOI: 10.1039/C4Cc09523E  1
2015 Singh MK, Rajaraman G. Can CH⋅⋅⋅π interactions be used to design single-chain magnets? Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 980-3. PMID 25430870 DOI: 10.1002/Chem.201404853  0.96
2015 Vaidya S, Upadhyay A, Singh SK, Gupta T, Tewary S, Langley SK, Walsh JP, Murray KS, Rajaraman G, Shanmugam M. A synthetic strategy for switching the single ion anisotropy in tetrahedral Co(II) complexes. Chemical Communications (Cambridge, England). 51: 3739-42. PMID 25370832 DOI: 10.1039/C4Cc08305A  1
2014 Singh SK, Gupta T, Shanmugam M, Rajaraman G. Unprecedented magnetic relaxation via the fourth excited state in low-coordinate lanthanide single-ion magnets: a theoretical perspective. Chemical Communications (Cambridge, England). 50: 15513-6. PMID 25355077 DOI: 10.1039/C4Cc05522E  1
2014 Singh SK, Gupta T, Rajaraman G. Magnetic anisotropy and mechanism of magnetic relaxation in Er(III) single-ion magnets. Inorganic Chemistry. 53: 10835-45. PMID 25259840 DOI: 10.1021/Ic500772F  1
2014 Singh SK, Gupta T, Badkur P, Rajaraman G. Magnetic anisotropy of mononuclear Ni(II) complexes: on the importance of structural diversity and the structural distortions. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 10305-13. PMID 25042299 DOI: 10.1002/Chem.201402694  1
2014 Upadhyay A, Singh SK, Das C, Mondol R, Langley SK, Murray KS, Rajaraman G, Shanmugam M. Enhancing the effective energy barrier of a Dy(III) SMM using a bridged diamagnetic Zn(II) ion. Chemical Communications (Cambridge, England). 50: 8838-41. PMID 24824019 DOI: 10.1039/C4Cc02094D  1
2014 Singh SK, Rajaraman G. Probing the origin of magnetic anisotropy in a dinuclear {Mn(III)Cu(II)} single-molecule magnet: the role of exchange anisotropy. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 5214-8. PMID 24700405 DOI: 10.1002/Chem.201304357  1
2014 Pedersen KS, Lorusso G, Morales JJ, Weyhermüller T, Piligkos S, Singh SK, Larsen D, Schau-Magnussen M, Rajaraman G, Evangelisti M, Bendix J. Fluoride-bridged {Gd(III)3M(III)2} (M = Cr, Fe, Ga) molecular magnetic refrigerants. Angewandte Chemie (International Ed. in English). 53: 2394-7. PMID 24574031 DOI: 10.1002/Anie.201308240  1
2013 Hazra S, Bhattacharya S, Singh MK, Carrella L, Rentschler E, Weyhermueller T, Rajaraman G, Mohanta S. Syntheses, structures, magnetic properties, and density functional theory magneto-structural correlations of bis(μ-phenoxo) and bis(μ-phenoxo)-μ-acetate/bis(μ-phenoxo)-bis(μ-acetate) dinuclear Fe(III)Ni(II) compounds. Inorganic Chemistry. 52: 12881-92. PMID 24164408 DOI: 10.1021/Ic400345W  0.32
2013 Ghosh S, Singh SK, Tewary S, Rajaraman G. Enhancing the double exchange interaction in a mixed valence {V(III)-V(II)} pair: a theoretical perspective. Dalton Transactions (Cambridge, England : 2003). 42: 16490-3. PMID 23995539 DOI: 10.1039/C3Dt51935J  1
2013 Singh SK, Pedersen KS, Sigrist M, Thuesen CA, Schau-Magnussen M, Mutka H, Piligkos S, Weihe H, Rajaraman G, Bendix J. Angular dependence of the exchange interaction in fluoride-bridged Gd(III)-Cr(III) complexes. Chemical Communications (Cambridge, England). 49: 5583-5. PMID 23677003 DOI: 10.1039/C3Cc42552E  1
2013 Berg N, Hooper TN, Liu J, Beedle CC, Singh SK, Rajaraman G, Piligkos S, Hill S, Brechin EK, Jones LF. Synthetic, structural, spectroscopic and theoretical study of a Mn(III)-Cu(II) dimer containing a Jahn-Teller compressed Mn ion. Dalton Transactions (Cambridge, England : 2003). 42: 207-16. PMID 23108057 DOI: 10.1039/C2Dt31995K  1
Show low-probability matches.