Gopalan Rajaraman - Publications

Affiliations: 
Department of Chemistry Indian Institute of Technology Bombay, Mumbai, Maharashtra, India 

269 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
2022 Mandal S, Pramanik A, Dey S, Carrella LM, Rajaraman G, Rentschler E, Mohanta S. Experimental and theoretical investigations on three Dy single molecule magnets: structural and magneto-structural correlations. Dalton Transactions (Cambridge, England : 2003). PMID 36106563 DOI: 10.1039/d2dt02348b  0.656
2022 Dey S, Rajaraman G, Bolvin H. Analysis of the magnetic coupling in a Mn(II)-U(V)-Mn(II) Single Molecule Magnet. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 36005891 DOI: 10.1002/chem.202201883  0.414
2022 Kumar P, Swain A, Acharya J, Li Y, Kumar V, Rajaraman G, Colacio E, Chandrasekhar V. Synthesis, Structure, and Zero-Field SMM Behavior of Homometallic Dy2, Dy4, and Dy6 Complexes. Inorganic Chemistry. PMID 35849822 DOI: 10.1021/acs.inorgchem.2c01041  0.837
2022 Regincós Martí E, Canaj AB, Sharma T, Celmina A, Wilson C, Rajaraman G, Murrie M. Importance of an Axial Ln-F Bond across the Lanthanide Series and Single-Molecule Magnet Behavior in the Ce and Nd Analogues. Inorganic Chemistry. PMID 35727882 DOI: 10.1021/acs.inorgchem.2c00556  0.833
2022 Anilkumar A, Ash P, Chakravarty AR, Comba P, DeBeer S, Dey A, Draksharapu A, Goswami D, Itoh S, Karlin K, Lakshmi KV, Mazumdar S, Pantazis D, Parker D, Que L, ... Rajaraman G, et al. Electron transfer, spectroscopy and theory: general discussion. Faraday Discussions. PMID 35510729 DOI: 10.1039/d2fd90013k  0.548
2022 Ahmed N, Sharma T, Spillecke L, Koo C, Ansari KU, Tripathi S, Caneschi A, Klingeler R, Rajaraman G, Shanmugam M. Probing the Origin of Ferro-/Antiferromagnetic Exchange Interactions in Cu(II)-4f Complexes. Inorganic Chemistry. PMID 35348317 DOI: 10.1021/acs.inorgchem.2c00065  0.84
2022 Jose R, Kancharlapalli S, Ghanty TK, Pal S, Rajaraman G. The Decisive Role of Spin States and Spin Coupling in Dictating Selective O Adsorption in Chromium(II) Metal-Organic Frameworks. Chemistry (Weinheim An Der Bergstrasse, Germany). 28: e202200661. PMID 35277904 DOI: 10.1002/chem.202200661  0.794
2022 Comba P, Rajaraman G, Sarkar A, Velmurugan G. What controls the magnetic anisotropy in heptacoordinate high-spin cobalt(II) complexes? A theoretical perspective. Dalton Transactions (Cambridge, England : 2003). 51: 5175-5183. PMID 35274660 DOI: 10.1039/d1dt03903b  0.856
2022 Dwivedi I, Sarkar A, Rajaraman G, Subramaniam C. Electric-Field-Induced Solid-Gas Interfacial Chemical Reaction in Carbon Nanotube Ensembles: Route toward Ultra-sensitive Gas Detectors. Acs Applied Materials & Interfaces. 14: 13271-13279. PMID 35266685 DOI: 10.1021/acsami.1c23670  0.585
2022 Jose R, Kancharlapalli S, Ghanty TK, Pal S, Rajaraman G. The Decisive Role of Spin States and Spin Coupling in Dictating Selective O Adsorption in Chromium(II) Metal-Organic Frameworks. Chemistry (Weinheim An Der Bergstrasse, Germany). e202104526. PMID 35098596 DOI: 10.1002/chem.202104526  0.816
2022 Saha S, Das KS, Sharma T, Bala S, Adhikary A, Huang GZ, Tong ML, Ghosh A, Das B, Rajaraman G, Mondal R. Synergistic Experimental and Theoretical Studies of Luminescent-Magnetic LnZn Clusters. Inorganic Chemistry. PMID 35049278 DOI: 10.1021/acs.inorgchem.1c03359  0.803
2022 Lalioti N, Nastopoulos V, Panagiotou N, Tasiopoulos A, Ioannidis N, van Slageren J, Zhang P, Rajaraman G, Swain A, Tangoulis V. A nonsymmetric Dy single-molecule magnet with two relaxation processes triggered by an external magnetic field: a theoretical and integrated EPR study of the role of magnetic-site dilution. Dalton Transactions (Cambridge, England : 2003). PMID 35029246 DOI: 10.1039/d1dt04089h  0.855
2022 Dey S, Rajaraman G. Deciphering the Role of Symmetry and Ligand Field in Designing Three-Coordinate Uranium and Plutonium Single-Molecule Magnets. Inorganic Chemistry. PMID 35025497 DOI: 10.1021/acs.inorgchem.1c02646  0.469
2021 Spillecke L, Tripathi S, Koo C, Bahr A, Swain A, Haldar R, Ansari M, Jasinski J, Rajaraman G, Shanmugam M, Klingeler R. Role of Coordination Geometry on the Magnetic Relaxation Dynamics of Isomeric Five-Coordinate Low-Spin Co(II) Complexes. Inorganic Chemistry. PMID 34918918 DOI: 10.1021/acs.inorgchem.1c02881  0.861
2021 Vignesh KR, Rajaraman G. Strategies to Design Single-Molecule Toroics Using Triangular {Ln} Motifs. Acs Omega. 6: 32349-32364. PMID 34901588 DOI: 10.1021/acsomega.1c05310  0.767
2021 Kumar R, Sundararajan M, Rajaraman G. A six-coordinate high-spin FeO species of cucurbit[5]uril: a highly potent catalyst for C-H hydroxylation of methane, if synthesised. Chemical Communications (Cambridge, England). 57: 13760-13763. PMID 34854853 DOI: 10.1039/d1cc06391j  0.514
2021 Wilson LRB, Coletta M, Jose R, Rajaraman G, Dalgarno SJ, Brechin EK. Oxidation state variation in bis-calix[4]arene supported decametallic Mn clusters. Dalton Transactions (Cambridge, England : 2003). PMID 34816846 DOI: 10.1039/d1dt03410c  0.834
2021 Dearle AE, Cutler DJ, Coletta M, Lee E, Dey S, Sanz S, Fraser HWL, Nichol GS, Rajaraman G, Schnack J, Cronin L, Brechin EK. An [FeIII30] molecular metal oxide. Chemical Communications (Cambridge, England). PMID 34807967 DOI: 10.1039/d1cc06224g  0.582
2021 Murugavel R, Gupta SK, Dey S, Rajeshkumar T, Rajaraman G. Deciphering the role of anions and secondary coordination sphere in tuning anisotropy in Dy(III) air-stable D5h SIMs. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 34788493 DOI: 10.1002/chem.202103585  0.783
2021 Dey S, Rajaraman G. Attaining record-high magnetic exchange, magnetic anisotropy and blocking barriers in dilanthanofullerenes. Chemical Science. 12: 14207-14216. PMID 34760206 DOI: 10.1039/d1sc03925c  0.487
2021 Sharma T, Singh MK, Gupta R, Khatua M, Rajaraman G. design to enhance the barrier height for magnetization reversal in Dy(iii) sandwich complexes by stitching them under the umbrella of corannulene. Chemical Science. 12: 11506-11514. PMID 34667554 DOI: 10.1039/d1sc03160k  0.829
2021 Swain A, Sen A, Rajaraman G. Are lanthanide-transition metal direct bonds a route to achieving new generation {3d-4f} SMMs? Dalton Transactions (Cambridge, England : 2003). PMID 34647556 DOI: 10.1039/d1dt02256c  0.822
2021 Nabi R, Tiwari RK, Rajaraman G. strategy to boost stability, axiality, and barrier heights in dysprocenium SIMs SWCNT encapsulation. Chemical Communications (Cambridge, England). 57: 11350-11353. PMID 34643193 DOI: 10.1039/d1cc03434k  0.778
2021 Arumugam GS, Sen A, Dash SS, Mitra K, Doble M, Rajaraman G, Gummadi SN. Arjunetin as a promising drug candidate against SARS-CoV-2: molecular dynamics simulation studies. Journal of Biomolecular Structure & Dynamics. 1-22. PMID 34533107 DOI: 10.1080/07391102.2021.1970627  0.254
2021 Swain A, Martin R, Vignesh KR, Rajaraman G, Murray KS, Langley SK. Enhancing the barrier height for magnetization reversal in 4d/4f RuIII2LnIII2 "butterfly" single molecule magnets (Ln = Gd, Dy) targeted structural alterations. Dalton Transactions (Cambridge, England : 2003). 50: 12265-12274. PMID 34519749 DOI: 10.1039/d1dt01770e  0.845
2021 Sen A, Gaded V, Jayapal P, Rajaraman G, Anand R. Insights into the Dual Shuttle Catalytic Mechanism of Guanine Deaminase. The Journal of Physical Chemistry. B. PMID 34324362 DOI: 10.1021/acs.jpcb.1c06127  0.288
2021 Kharwar AK, Mondal A, Sarkar A, Rajaraman G, Konar S. Modulation of Magnetic Anisotropy and Exchange Interaction in Phenoxide-Bridged Dinuclear Co(II) Complexes. Inorganic Chemistry. PMID 34314144 DOI: 10.1021/acs.inorgchem.1c00956  0.772
2021 Kumar R, Pandey B, Singh A, Rajaraman G. Mechanistic Insights into the Oxygen Atom Transfer Reactions by Nonheme Manganese Complex: A Computational Case Study on the Comparative Oxidative Ability of Manganese-Hydroperoxo vs High-Valent Mn═O and Mn-OH Intermediates. Inorganic Chemistry. PMID 34293860 DOI: 10.1021/acs.inorgchem.1c01306  0.544
2021 Fraser HWL, Payne EH, Sarkar A, Wilson LRB, Mitcov D, Nichol GS, Rajaraman G, Piligkos S, Brechin EK. [(VO)M] (M = Ni, Co) Anderson wheels. Dalton Transactions (Cambridge, England : 2003). PMID 34240723 DOI: 10.1039/d1dt01710a  0.749
2021 Scott AJ, Vallejo J, Sarkar A, Smythe L, Regincós Martí E, Nichol GS, Klooster WT, Coles SJ, Murrie M, Rajaraman G, Piligkos S, Lusby PJ, Brechin EK. Exploiting host-guest chemistry to manipulate magnetic interactions in metallosupramolecular ML tetrahedral cages. Chemical Science. 12: 5134-5142. PMID 34168772 DOI: 10.1039/d1sc00647a  0.839
2021 Sarkar A, Jose R, Ghosh H, Rajaraman G. Record High Magnetic Anisotropy in Three-Coordinate Mn and Cr Complexes: A Theoretical Perspective. Inorganic Chemistry. PMID 34160217 DOI: 10.1021/acs.inorgchem.1c00978  0.856
2021 Kumar P, Biswas S, Swain A, Acharya J, Kumar V, Kalita P, Gonzalez JF, Cador O, Pointillart F, Rajaraman G, Chandrasekhar V. Azide-Coordination in Homometallic Dinuclear Lanthanide(III) Complexes Containing Nonequivalent Lanthanide Metal Ions: Zero-Field SMM Behavior in the Dysprosium Analogue. Inorganic Chemistry. PMID 34085810 DOI: 10.1021/acs.inorgchem.1c00249  0.854
2021 Rajasekar P, Swain A, Rajaraman G, Boomishankar R. Enantiopure Polyradical Tetrahedral Pd L Cages. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33978271 DOI: 10.1002/chem.202101239  0.802
2021 Comba P, Enders M, Großhauser M, Hiller M, Klingeler R, Koo C, Müller D, Rajaraman G, Swain A, Tavhelidse M, Wadepohl H. Validation of Ab-initio-predicted Magnetic Anisotropies and Magneto-structural Correlations in Linear Hetero-trinuclear DyIII-NiII2 Compounds. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33884678 DOI: 10.1002/chem.202100626  0.842
2021 Ray K, Chandra A, Ansari M, Monte-Pérez I, Kundu S, Rajaraman G. Ligand Constraint Induced Peroxide Activation for Electrophilic Reactivity. Angewandte Chemie (International Ed. in English). PMID 33843113 DOI: 10.1002/anie.202100438  0.666
2021 Biswas JP, Ansari M, Paik A, Sasmal S, Paul S, Rana S, Rajaraman G, Maiti D. Effect of ligand backbone on the reactivity and mechanistic paradigm of non-heme iron(IV)-oxo during olefin epoxidation. Angewandte Chemie (International Ed. in English). PMID 33836110 DOI: 10.1002/anie.202102484  0.668
2020 Sarkar A, Rajaraman G. Modulating magnetic anisotropy in Ln(iii) single-ion magnets using an external electric field. Chemical Science. 11: 10324-10330. PMID 34123178 DOI: 10.1039/d0sc03982a  0.747
2020 Caporale C, Sobolev AN, Phonsri W, Murray KS, Swain A, Rajaraman G, Ogden MI, Massi M, Fuller RO. Lanthanoid pyridyl-β-diketonate 'triangles'. New examples of single molecule toroics. Dalton Transactions (Cambridge, England : 2003). PMID 33220677 DOI: 10.1039/d0dt02855j  0.835
2020 Ansari M, Senthilnathan D, Rajaraman G. Deciphering the origin of million-fold reactivity observed for the open core diiron [HO-Fe-O-Fe[double bond, length as m-dash]O] species towards C-H bond activation: role of spin-states, spin-coupling, and spin-cooperation. Chemical Science. 11: 10669-10687. PMID 33209248 DOI: 10.1039/D0Sc02624G  0.697
2020 Dey S, Rajaraman G. An approach to estimate the barrier height for magnetisation reversal in {Dy} SMMs using calculations. Dalton Transactions (Cambridge, England : 2003). 49: 14781-14785. PMID 33079112 DOI: 10.1039/d0dt03129a  0.316
2020 Borah A, Dey S, Gupta SK, Walawalkar MG, Rajaraman G, Murugavel R. Enhancing the barrier height for Yb(III) single-ion magnets by modulating axial ligand fields. Chemical Communications (Cambridge, England). 56: 11879-11882. PMID 33021294 DOI: 10.1039/D0Cc01370F  0.511
2020 Canaj AB, Dey S, Wilson C, Céspedes O, Rajaraman G, Murrie M. Engineering macrocyclic high performance pentagonal bipyramidal Dy(III) single-ion magnets. Chemical Communications (Cambridge, England). PMID 32902527 DOI: 10.1039/D0Cc04559D  0.738
2020 Rajaraman G, Sarkar A, Dey S. Role of Coordination Number and Geometry in Controlling the Magnetic Anisotropy in Fe(II), Co(II) and Ni(II) Single-Ion Magnets. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32729641 DOI: 10.1002/Chem.202003211  0.781
2020 Sen A, Vyas N, Pandey B, Rajaraman G. Deciphering the mechanism of oxygen atom transfer by non-heme Mn-oxo species: an ab initio and DFT exploration. Dalton Transactions (Cambridge, England : 2003). PMID 32613212 DOI: 10.1039/D0Dt01785J  0.472
2020 Hay MA, Sarkar A, Craig GA, Marriott KER, Wilson C, Rajaraman G, Murrie M. A large axial magnetic anisotropy in trigonal bipyramidal Fe(ii). Chemical Communications (Cambridge, England). PMID 32432288 DOI: 10.1039/D0Cc02382E  0.822
2020 Kalita P, Ahmed N, Bar AK, Dey S, Jana A, Rajaraman G, Sutter JP, Chandrasekhar V. Pentagonal Bipyramidal Ln(III) Complexes Containing an Axial Phosphine Oxide Ligand: Field-induced Single-ion Magnetism Behavior of the Dy(III) Analogues. Inorganic Chemistry. PMID 32309926 DOI: 10.1021/Acs.Inorgchem.0C00751  0.572
2020 Acharya J, Sarkar A, Kumar P, Kumar V, Flores Gonzalez J, Cador O, Pointillart F, Rajaraman G, Chandrasekhar V. Influence of ligand field on magnetic anisotropy in a family of pentacoordinate Co complexes. Dalton Transactions (Cambridge, England : 2003). PMID 32211713 DOI: 10.1039/D0Dt00315H  0.785
2020 Comba P, Faltermeier D, Krieg S, Martin B, Rajaraman G. Spin state and reactivity of iron(iv)oxido complexes with tetradentate bispidine ligands. Dalton Transactions (Cambridge, England : 2003). PMID 32066998 DOI: 10.1039/C9Dt04578C  0.7
2020 Canaj AB, Dey S, Céspedes O, Wilson C, Rajaraman G, Murrie M. There is nothing wrong with being soft: using sulfur ligands to increase axiality in a Dy(iii) single-ion magnet. Chemical Communications (Cambridge, England). PMID 31922161 DOI: 10.1039/C9Cc07292F  0.736
2020 Sarkar A, Rajaraman G. Modulating magnetic anisotropy in Ln(iii) single-ion magnets using an external electric field Chemical Science. 11: 10324-10330. DOI: 10.1039/D0Sc03982A  0.746
2020 Díaz-Ortega IF, Herrera JM, Dey S, Nojiri H, Rajaraman G, Colacio E. The effect of the electronic structure and flexibility of the counteranions on magnetization relaxation in [Dy(L)2(H2O)5]3+ (L = phosphine oxide derivative) pentagonal bipyramidal SIMs Inorganic Chemistry Frontiers. 7: 689-699. DOI: 10.1039/C9Qi01412H  0.468
2020 Kumar R, Pandey B, Sen A, Ansari M, Sharma S, Rajaraman G. Role of oxidation state, ferryl-oxygen, and ligand architecture on the reactivity of popular high-valent FeIV=O species: A theoretical perspective Coordination Chemistry Reviews. 419: 213397. DOI: 10.1016/J.Ccr.2020.213397  0.715
2020 Sen A, Vyas N, Pandey B, Jaccob M, Rajaraman G. Mechanistic Insights on the Formation of High‐Valent Mn III/IV =O Species Using Oxygen as Oxidant: A Theoretical Perspective Israel Journal of Chemistry. 60: 973-986. DOI: 10.1002/Ijch.201900142  0.699
2019 Norre MS, Gao C, Dey S, Gupta SK, Borah A, Murugavel R, Rajaraman G, Overgaard J. High-Pressure Crystallographic and Magnetic Studies of Pseudo- Symmetric Dy(III) and Ho(III) Single-Molecule Magnets. Inorganic Chemistry. PMID 31829583 DOI: 10.1021/Acs.Inorgchem.9B02962  0.565
2019 Craig GA, Velmurugan G, Wilson C, Valiente R, Rajaraman G, Murrie M. Magnetic Properties of a Family of [MnLn] Wheel Complexes: An Experimental and Theoretical Study. Inorganic Chemistry. PMID 31588739 DOI: 10.1021/Acs.Inorgchem.9B01592  0.847
2019 Rajaraman G, Swain A, Sarkar A. Role of Ab initio Calculations in the Design and Development of Organometallic Lanthanide Based Single-Molecule Magnets. Chemistry, An Asian Journal. PMID 31557389 DOI: 10.1002/Asia.201900828  0.826
2019 Brechin EK, Dearle A, Cutler D, Fraser H, Sanz S, Lee E, Dey S, Diaz-Ortega I, Nichol G, Nojiri H, Evangelisti M, Rajaraman G, Schnack J, Cronin L. An [FeIII34] molecular metal oxide. Angewandte Chemie (International Ed. in English). PMID 31535459 DOI: 10.1002/Anie.201911003  0.617
2019 Gupta SK, Shanmugan S, Rajeshkumar T, Borah A, Damjanović M, Schulze M, Wernsdorfer W, Rajaraman G, Murugavel R. A single-ion single-electron cerrous magnet. Dalton Transactions (Cambridge, England : 2003). PMID 31513208 DOI: 10.1039/C9Dt03052B  0.816
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  0.715
2019 Rajaraman G, Sarkar A, Tewary S, Sinkar S. Magnetic Anisotropy in Co(II)X4 (X = O, S, Se) Single-Ion Magnets: Role of Structural Distortions Vs. Heavy atom effect. Chemistry, An Asian Journal. PMID 31489772 DOI: 10.1002/Asia.201901140  0.843
2019 Langley SK, Vignesh KR, Gupta T, Gartshore CJ, Rajaraman G, Forsyth CM, Murray KS. New examples of triangular terbium(iii) and holmium(iii) and hexagonal dysprosium(iii) single molecule toroics. Dalton Transactions (Cambridge, England : 2003). PMID 31482898 DOI: 10.1039/C9Dt02419K  0.846
2019 Rajeshkumar T, Jose R, Remya PR, Rajaraman G. Theoretical Studies on Trinuclear {MnGd} and Tetranuclear {MnGd} Clusters: Magnetic Exchange, Mechanism of Magnetic Coupling, Magnetocaloric Effect, and Magneto-Structural Correlations. Inorganic Chemistry. 58: 11927-11940. PMID 31414797 DOI: 10.1021/Acs.Inorgchem.9B01503  0.852
2019 Acharya J, Swain A, Chakraborty A, Kumar V, Kumar P, Gonzalez JF, Cador O, Pointillart F, Rajaraman G, Chandrasekhar V. Slow Magnetic Relaxation in Dinuclear CoY Complexes. Inorganic Chemistry. PMID 31368683 DOI: 10.1021/Acs.Inorgchem.9B00864  0.854
2019 Rosado Piquer L, Dey S, Castilla-Amorós L, Teat SJ, Cirera J, Rajaraman G, Sañudo EC. Microwave assisted synthesis of heterometallic 3d-4f MLn complexes. Dalton Transactions (Cambridge, England : 2003). PMID 31347642 DOI: 10.1039/C9Dt02567G  0.501
2019 Murrie M, Canaj A, Dey S, Regincós Marti E, Wilson C, Rajaraman G. Insight into D6h Symmetry: Targeting Strong Axiality in Stable Dysprosium(III) Hexagonal Bipyramidal Single-Ion Magnets. Angewandte Chemie (International Ed. in English). PMID 31343095 DOI: 10.1002/Anie.201907686  0.752
2019 Hay MA, Sarkar A, Craig GA, Bhaskaran L, Nehrkorn J, Ozerov M, Marriott KER, Wilson C, Rajaraman G, Hill S, Murrie M. In-depth investigation of large axial magnetic anisotropy in monometallic 3d complexes using frequency domain magnetic resonance and methods: a study of trigonal bipyramidal Co(ii). Chemical Science. 10: 6354-6361. PMID 31341591 DOI: 10.1039/C9Sc00987F  0.84
2019 Peng Y, Singh MK, Mereacre V, Anson CE, Rajaraman G, Powell AK. Mechanism of magnetisation relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) "Butterfly" complexes: how important are the transition metal ions here? Chemical Science. 10: 5528-5538. PMID 31293737 DOI: 10.1039/C8Sc05362F  0.759
2019 Hay MA, Sarkar A, Marriott KER, Wilson C, Rajaraman G, Murrie M. Investigation of the magnetic anisotropy in a series of trigonal bipyramidal Mn(ii) complexes. Dalton Transactions (Cambridge, England : 2003). PMID 31282505 DOI: 10.1039/C9Dt02187F  0.85
2019 Nabi R, Rajaraman G. Deciphering the origin of variation in the spin ground state and oxidation state of a {Mn} cluster on a Au(111) surface: is the Au(111) surface innocent? Chemical Communications (Cambridge, England). 55: 8238-8241. PMID 31250845 DOI: 10.1039/C9Cc03714D  0.796
2019 Tripathi S, Vaidya S, Ansari KU, Ahmed N, Rivière E, Spillecke L, Koo C, Klingeler R, Mallah T, Rajaraman G, Shanmugam M. Influence of a Counteranion on the Zero-Field Splitting of Tetrahedral Cobalt(II) Thiourea Complexes. Inorganic Chemistry. PMID 31246445 DOI: 10.1021/Acs.Inorgchem.9B00632  0.769
2019 Mandal D, Dolai R, Kumar R, Suhr S, Chrysochos N, Kalita P, Narayanan RS, Rajaraman G, Schulzke C, Sarkar B, Chandrasekhar V, Jana A. Influence of N-Substitution on the Formation and Oxidation of NHC-CAAC Derived Triazaalkenes. The Journal of Organic Chemistry. PMID 31187990 DOI: 10.1021/Acs.Joc.9B00774  0.549
2019 Dey S, Velmurugan G, Rajaraman G. How important is the coordinating atom in controlling magnetic anisotropy in uranium(iii) single-ion magnets? A theoretical perspective. Dalton Transactions (Cambridge, England : 2003). PMID 31145395 DOI: 10.1039/C9Dt01869G  0.845
2019 Sharma MK, Sinhababu S, Mahawar P, Mukherjee G, Pandey B, Rajaraman G, Nagendran S. Donor-acceptor-stabilised germanium analogues of acid chloride, ester, and acyl pyrrole compounds: synthesis and reactivity. Chemical Science. 10: 4402-4411. PMID 31057767 DOI: 10.1039/C8Sc05380D  0.372
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  0.818
2019 Biswas S, Kumar P, Swain A, Gupta T, Kalita P, Kundu S, Rajaraman G, Chandrasekhar V. Phosphonate-assisted tetranuclear lanthanide assemblies: observation of the toroidic ground state in the Tb analogue. Dalton Transactions (Cambridge, England : 2003). PMID 30993275 DOI: 10.1039/C9Dt00592G  0.864
2019 Chittrarasu M, Sathyanarayana SS, Ahamed S, Aberna A, Bhavani S, Rajaraman G. Antimicrobial efficacy of liquorice against biofilms in various concentrations at time-dependent variables: An study. Journal of Conservative Dentistry : Jcd. 22: 7-11. PMID 30820075 DOI: 10.4103/JCD.JCD_173_18  0.192
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  0.743
2019 Murray K, Langley S, Vignesh K, Moubaraki B, Rajaraman G. Oblate vs. Prolate Electron Density of Lanthanide Ions: A Design Criterion for Engineering Toroidal Moments? A Case Study on {LnIII6} (Ln = Tb, Dy, Ho and Er) Wheels. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30706555 DOI: 10.1002/Chem.201805765  0.782
2019 Sharma MK, Ansari M, Mahawar P, Rajaraman G, Nagendran S. Expanding the limits of catalysts with low-valent main-group elements for the hydroboration of aldehydes and ketones using [LSn(ii)][OTf] (L = aminotroponate; OTf = triflate). Dalton Transactions (Cambridge, England : 2003). 48: 664-672. PMID 30542686 DOI: 10.1039/C8Dt02857E  0.636
2019 Gajarushi AS, Wasim M, Nabi R, Kancharlapalli S, Rao VR, Rajaraman G, Subramaniam C, Shanmugam M. Lanthanide complexes as molecular dopants for realizing air-stable n-type graphene logic inverters with symmetric transconductance Materials Horizons. 6: 743-750. DOI: 10.1039/C8Mh01241E  0.778
2019 Jangir R, Ansari M, Kaleeswaran D, Rajaraman G, Palaniandavar M, Murugavel R. Unprecedented Copper(II) Complex with a Topoquinone-like Moiety as a Structural and Functional Mimic for Copper Amine Oxidase: Role of Copper(II) in the Genesis and Amine Oxidase Activity Acs Catalysis. 9: 10940-10950. DOI: 10.1021/Acscatal.9B02326  0.738
2019 Vignesh KR, Martin RB, Miller G, Rajaraman G, Murray KS, Langley SK. {MnIII2LnIII2} (Ln = Gd, La or Y) butterfly complexes: Ferromagnetic exchange observed between bis-μ-alkoxo bridged manganese(III) ions Polyhedron. 170: 508-514. DOI: 10.1016/J.Poly.2019.05.061  0.79
2019 Dey S, Rajaraman G. In silico design of pseudo D5h actinide based molecular magnets: role of covalency in magnetic anisotropy Journal of Chemical Sciences. 131. DOI: 10.1007/S12039-019-1705-7  0.62
2018 Díaz-Ortega IF, Herrera JM, Reyes Carmona Á, Galán-Mascarós JR, Dey S, Nojiri H, Rajaraman G, Colacio E. A Chiral Bipyrimidine-Bridged Dy SMM: A Comparative Experimental and Theoretical Study of the Correlation Between the Distortion of the DyO6N2 Coordination Sphere and the Anisotropy Barrier. Frontiers in Chemistry. 6: 537. PMID 30467538 DOI: 10.3389/Fchem.2018.00537  0.636
2018 Rana S, Biswas JP, Sen A, Clémancey M, Blondin G, Latour JM, Rajaraman G, Maiti D. Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical Science. 9: 7843-7858. PMID 30429994 DOI: 10.1039/C8Sc02053A  0.414
2018 Chattopadhyay K, Heras Ojea MJ, Sarkar A, Murrie M, Rajaraman G, Ray D. Trapping of a Pseudotetrahedral CoO Core in Mixed-Valence Mixed-Geometry [Co] Coordination Aggregates: Synthetic Marvel, Structures, and Magnetism. Inorganic Chemistry. PMID 30351068 DOI: 10.1021/Acs.Inorgchem.8B01577  0.836
2018 Panda C, Chandra A, Corona T, Andris E, Pandey B, Garai S, Lindenmaier N, Kuenstner S, Farquhar ER, Roithova J, Rajaraman G, Driess M, Ray K. Nucleophilic vs Electrophilic Reactivity of Bioinspired Super-oxido Nickel(II) Complexes. Angewandte Chemie (International Ed. in English). PMID 30204293 DOI: 10.1002/Anie.201808085  0.524
2018 De S, Chamoreau LM, El Said H, Li Y, Flambard A, Boillot ML, Tewary S, Rajaraman G, Lescouëzec R. Thermally-Induced Spin Crossover and LIESST Effect in the Neutral [Fe(bik)(NCX)] Complexes: Variable-Temperature Structural, Magnetic, and Optical Studies (X = S, Se; bik = bis(1-methylimidazol-2-yl)ketone). Frontiers in Chemistry. 6: 326. PMID 30186827 DOI: 10.3389/Fchem.2018.00326  0.84
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  0.746
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  0.816
2018 Sarkar A, Velmurugan G, Rajeshkumar T, Rajaraman G. Deciphering the origin of invariance in magnetic anisotropy in {FeS} complexes: a theoretical perspective. Dalton Transactions (Cambridge, England : 2003). PMID 29978163 DOI: 10.1039/C8Dt02145G  0.83
2018 Vignesh KR, Langley SK, Gartshore CJ, Borilović I, Forsyth CM, Rajaraman G, Murray KS. Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes. Dalton Transactions (Cambridge, England : 2003). PMID 29951677 DOI: 10.1039/C8Dt01410H  0.824
2018 Chakraborty A, Goura J, Kalita P, Swain A, Rajaraman G, Chandrasekhar V. Heterometallic 3d-4f single molecule magnets containing diamagnetic metal ions. Dalton Transactions (Cambridge, England : 2003). PMID 29922800 DOI: 10.1039/C8Dt01883A  0.847
2018 Fraser HWL, Smythe L, Dey S, Nichol GS, Piligkos S, Rajaraman G, Brechin EK. A simple methodology for constructing ferromagnetically coupled Cr(iii) compounds. Dalton Transactions (Cambridge, England : 2003). PMID 29877529 DOI: 10.1039/C8Dt01963K  0.63
2018 Jana A, Mandal D, Dolai R, Kalita P, Narayanan RS, Kumar R, Sobottka S, Sarkar B, Rajaraman G, Chandrasekhar V. "Abnormal" Addition of NHC to a Conjugate Acid of CAAC: Formation of N-Alkyl Substituted CAAC. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29797625 DOI: 10.1002/Chem.201802587  0.522
2018 Díaz-Ortega IF, Herrera JM, Aravena D, Ruiz E, Gupta T, Rajaraman G, Nojiri H, Colacio E. Designing a Dy Single-Molecule Magnet with Two Well-Differentiated Relaxation Processes by Using a Nonsymmetric Bis-bidentate Bipyrimidine- N-Oxide Ligand: A Comparison with Mononuclear Counterparts. Inorganic Chemistry. PMID 29775043 DOI: 10.1021/Acs.Inorgchem.8B00427  0.843
2018 Craig GA, Sarkar A, Woodall CH, Hay MA, Marriott KER, Kamenev KV, Moggach SA, Brechin EK, Parsons S, Rajaraman G, Murrie M. Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure. Chemical Science. 9: 1551-1559. PMID 29675200 DOI: 10.1039/C7Sc04460G  0.849
2018 Hänninen MM, Mota AJ, Sillanpää R, Dey S, Velmurugan G, Rajaraman G, Colacio E. Magneto-Structural Properties and Theoretical Studies of a Family of Simple Heterodinuclear Phenoxide/Alkoxide Bridged MnLnComplexes: On the Nature of the Magnetic Exchange and Magnetic Anisotropy. Inorganic Chemistry. PMID 29565579 DOI: 10.1021/Acs.Inorgchem.7B02917  0.864
2018 Sharma MK, Sinhababu S, Yadav D, Mukherjee G, Rajaraman G, Nagendran S. Pseudohalogenogermylenes vs Halogenogermylenes: Difference in their Complexation Behaviour towards Group 6 Metal Carbonyls. Chemistry, An Asian Journal. PMID 29505706 DOI: 10.1002/Asia.201800248  0.398
2018 Rajaraman G, Kumar R, Ansari A. Axial vs. Equatorial Ligand Rivalry in Controlling the Reactivity of Iron(IV)-Oxo Species: Single-State vs. Two-State Reactivity. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29504691 DOI: 10.1002/Chem.201800380  0.579
2018 Vaidya S, Shukla P, Tripathi S, Rivière E, Mallah T, Rajaraman G, Shanmugam M. Substituted versus Naked Thiourea Ligand Containing Pseudotetrahedral Cobalt(II) Complexes: A Comparative Study on Its Magnetization Relaxation Dynamics Phenomenon. Inorganic Chemistry. PMID 29485862 DOI: 10.1021/Acs.Inorgchem.8B00160  0.734
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  0.825
2018 Vignesh KR, Langley SK, Moubaraki B, Murray KS, Rajaraman G. Understanding the Mechanism of Magnetic Relaxation in Pentanuclear {MnIVMnIII2LnIII2} Single-Molecule Magnets. Inorganic Chemistry. PMID 29308893 DOI: 10.1021/Acs.Inorgchem.7B02608  0.815
2018 Langley S, Vignesh K, Holton K, Benjamin S, Hix G, Phonsri W, Moubaraki B, Murray K, Rajaraman G. Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy Inorganics. 6: 61. DOI: 10.3390/INORGANICS6020061  0.775
2018 Choudhury D, Rajaraman G, Sarkar SK. Comparison on atomic/molecular layer deposition grown aluminum alkoxide polymer films using alkane and alkyne organic precursors Journal of Vacuum Science & Technology a: Vacuum, Surfaces, and Films. 36: 01A108. DOI: 10.1116/1.4990776  0.318
2018 Duncan H, Parsons S, Brechin E, Rajaraman G, Fraser H. Using pressure to enhance the magnetic exchange interactions within CrIII dimers Acta Crystallographica Section a Foundations and Advances. 74: e389-e389. DOI: 10.1107/S2053273318089362  0.623
2018 Bar AK, Kalita P, Singh MK, Rajaraman G, Chandrasekhar V. Low-coordinate mononuclear lanthanide complexes as molecular nanomagnets Coordination Chemistry Reviews. 367: 163-216. DOI: 10.1016/J.Ccr.2018.03.022  0.765
2018 Daumann L, Rajaraman G. In celebration of Peter Comba's 65th birthday Zeitschrift FüR Anorganische Und Allgemeine Chemie. 644: 604-605. DOI: 10.1002/Zaac.201810014  0.298
2018 Pandey B, Ray K, Rajaraman G. Structure, Bonding, Reactivity and Spectral Features of Putative NiIII =O Species: A Theoretical Perspective Zeitschrift FüR Anorganische Und Allgemeine Chemie. 644: 790-800. DOI: 10.1002/Zaac.201800122  0.376
2018 Gupta T, Rajaraman G. Magnetic Anisotropy, Magneto-Structural Correlations and Mechanism of Magnetic Relaxation in {DyIII N8 } Complexes: A Theoretical Perspective European Journal of Inorganic Chemistry. 2018: 3402-3412. DOI: 10.1002/Ejic.201800350  0.832
2017 Kumar R, Katari M, Choudhary A, Rajaraman G, Ghosh P. Computational Insight Into the Hydroamination of an Activated Olefin, As Catalyzed by a 1,2,4-Triazole-Derived Nickel(II) N-Heterocyclic Carbene Complex. Inorganic Chemistry. 56: 14859-14869. PMID 29218992 DOI: 10.1021/Acs.Inorgchem.7B02097  0.615
2017 Gupta SK, Rajeshkumar T, Rajaraman G, Murugavel R. Is a strong axial crystal-field the only essential condition for a large magnetic anisotropy barrier? The case of non-Kramers Ho(iii) versus Tb(iii ). Dalton Transactions (Cambridge, England : 2003). PMID 29215670 DOI: 10.1039/C7Dt04020B  0.797
2017 Vignesh KR, Langley SK, Swain A, Moubaraki B, Damjanović M, Wernsdorfer W, Rajaraman G, Murray KS. Slow Magnetic Relaxation and Single-Molecule Toroidal Behaviour in a Family of Heptanuclear {CrIII LnIII6 } (Ln=Tb, Ho, Er) Complexes. Angewandte Chemie (International Ed. in English). PMID 29205765 DOI: 10.1002/Anie.201711844  0.854
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  0.863
2017 Vignesh KR, Soncini A, Langley SK, Wernsdorfer W, Murray KS, Rajaraman G. Ferrotoroidic ground state in a heterometallic {Cr(III)Dy(III)6} complex displaying slow magnetic relaxation. Nature Communications. 8: 1023. PMID 29044098 DOI: 10.1038/S41467-017-01102-5  0.785
2017 Mandal D, Dolai R, Chrysochos N, Kalita P, Kumar R, Dhara D, Maiti A, Narayanan RS, Rajaraman G, Schulzke C, Chandrasekhar V, Jana A. Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. Organic Letters. PMID 28968127 DOI: 10.1021/Acs.Orglett.7B02721  0.543
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  0.864
2017 Sharma MK, Sinhababu S, Mukherjee G, Rajaraman G, Nagendran S. A cationic aluminium complex: an efficient mononuclear main-group catalyst for the cyanosilylation of carbonyl compounds. Dalton Transactions (Cambridge, England : 2003). PMID 28580996 DOI: 10.1039/C7Dt01760J  0.397
2017 Fraser HWL, Nichol GS, Velmurugan G, Rajaraman G, Brechin EK. Magneto-structural correlations in a family of di-alkoxo bridged chromium dimers. Dalton Transactions (Cambridge, England : 2003). PMID 28513741 DOI: 10.1039/C7Dt01197K  0.823
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  0.854
2017 Rajaraman G, Ansari A, Singha A, Ansari M. Interplay of Electronic Cooperativity and Exchange Coupling in Regulating the Reactivity of Diiron(IV)-oxo Complexes Towards C-H and O-H Bond Activation. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28498623 DOI: 10.1002/Chem.201701059  0.693
2017 Phonsri W, Macedo DS, Vignesh KR, Rajaraman G, Davies CG, Jameson GNL, Moubaraki B, Ward JS, Kruger PE, Chastanet G, Murray KS. Halogen Substitution Effects on N2 O Schiff Base Ligands in Unprecedented Abrupt Fe(II) Spin Crossover Complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28474778 DOI: 10.1002/Chem.201700232  0.763
2017 Díaz-Ortega IF, Herrera JM, Gupta T, Rajaraman G, Nojiri H, Colacio E. Design of a Family of Ln3 Triangles with the HAT Ligand (1,4,5,8,9,12-Hexaazatriphenylene): Single-Molecule Magnetism. Inorganic Chemistry. PMID 28467061 DOI: 10.1021/Acs.Inorgchem.6B03031  0.846
2017 Pandey B, Jaccob M, Rajaraman G. Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme Fe(IV)[double bond, length as m-dash]NTs/Fe(IV)[double bond, length as m-dash]O species: the σ vs. the π channels. Chemical Communications (Cambridge, England). PMID 28220156 DOI: 10.1039/C6Cc08761B  0.699
2017 Vignesh KR, Langley SK, Murray KS, Rajaraman G. Exploring the Influence of Diamagnetic Ions on the Mechanism of Magnetization Relaxation in {Co(III)2Ln(III)2} (Ln = Dy, Tb, Ho) "Butterfly" Complexes. Inorganic Chemistry. PMID 28211682 DOI: 10.1021/Acs.Inorgchem.6B02720  0.811
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  0.86
2017 Vignesh KR, Langley SK, Gartshore CJ, Moubaraki B, Murray KS, Rajaraman G. What Controls the Magnetic Exchange and Anisotropy in a Family of Tetranuclear {Mn2(II)Mn2(III)} Single-Molecule Magnets? Inorganic Chemistry. PMID 28156106 DOI: 10.1021/Acs.Inorgchem.6B02527  0.83
2017 Craig G, Woodall CH, Sarkar A, Probert MR, Kamenev KV, Moggach S, Brechin E, Rajaraman G, Parsons S, Murrie M. Modulating magnetic anisotropy in coordination complexes using hydrostatic pressure Acta Crystallographica Section a Foundations and Advances. 73: C1433-C1433. DOI: 10.1107/S2053273317081438  0.829
2017 De S, Tewary S, Garnier D, Li Y, Gontard G, Lisnard L, Flambard A, Breher F, Boillot M, Rajaraman G, Lescouëzec R. Solution and Solid-State Study of the Spin-Crossover [FeII (R-bik)3 ](BF4 )2 Complexes (R = Me, Et, Vinyl) European Journal of Inorganic Chemistry. 2018: 414-428. DOI: 10.1002/Ejic.201701013  0.823
2016 Gupta SK, Rajeshkumar T, Rajaraman G, Murugavel R. An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature. Chemical Science. 7: 5181-5191. PMID 30155168 DOI: 10.1039/C6Sc00279J  0.799
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  0.862
2016 Rajaraman G, Vignesh KR, Langley SK, Murray KS. Quenching QTM by Turning on the Exchange Coupling and Altering the Bridging Ligand in Heterometallic Octanuclear {TMIII4DyIII4} (TM=Co and Cr) Single-Molecule Magnets. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27859837 DOI: 10.1002/Chem.201604835  0.826
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  0.687
2016 Gupta T, Beg MF, Rajaraman G. Role of Single-Ion Anisotropy and Magnetic Exchange Interactions in Suppressing Zero-Field Tunnelling in {3d-4f} Single Molecule Magnets. Inorganic Chemistry. PMID 27735189 DOI: 10.1021/Acs.Inorgchem.6B01831  0.861
2016 Mukherjee S, Lu J, Velmurugan G, Singh S, Rajaraman G, Tang J, Ghosh SK. Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln2 (Ln = Dy and Gd) Complexes. Inorganic Chemistry. PMID 27726347 DOI: 10.1021/Acs.Inorgchem.6B01863  0.851
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  0.857
2016 Heras Ojea MJ, Milway VA, Velmurugan G, Thomas LH, Coles SJ, Wilson C, Wernsdorfer W, Rajaraman G, Murrie M. Enhancement of Tb(III) -Cu(II) Single-Molecule Magnet Performance through Structural Modification. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27484259 DOI: 10.1002/Chem.201601971  0.836
2016 Gupta T, Rajaraman G. Modelling spin Hamiltonian parameters of molecular nanomagnets. Chemical Communications (Cambridge, England). PMID 27366794 DOI: 10.1039/C6Cc01251E  0.835
2016 Sinhababu S, Yadav D, Karwasara S, Sharma MK, Mukherjee G, Rajaraman G, Nagendran S. The Preparation of Complexes of Germanone from a Germanium μ-Oxo Dimer. Angewandte Chemie (International Ed. in English). PMID 27238633 DOI: 10.1002/Anie.201601445  0.464
2016 Gupta SK, Rajeshkumar T, Rajaraman G, Murugavel R. An unprecedented zero field neodymium(iii) single-ion magnet based on a phosphonic diamide. Chemical Communications (Cambridge, England). PMID 27173026 DOI: 10.1039/C6Cc03066A  0.8
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  0.848
2016 Costes JP, Titos-Padilla S, Oyarzabal I, Gupta T, Duhayon C, Rajaraman G, Colacio E. Effect of Ligand Substitution around the Dy(III) on the SMM Properties of Dual-Luminescent Zn-Dy and Zn-Dy-Zn Complexes with Large Anisotropy Energy Barriers: A Combined Theoretical and Experimental Magnetostructural Study. Inorganic Chemistry. PMID 27078745 DOI: 10.1021/Acs.Inorgchem.6B00228  0.846
2016 Choudhury D, Rajaraman G, Sarkar SK. Self limiting atomic layer deposition of Al2O3 on perovskite surfaces: a reality? Nanoscale. PMID 26987744 DOI: 10.1039/C5Nr06974B  0.334
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  0.793
2016 Siwatch RK, Karwasara S, Sharma MK, Mondal S, Mukherjee G, Rajaraman G, Nagendran S. Reactivity of LGe-NR2 and LGe(E)-NR2 over LGe-Cl and LGe(E)-Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN) Organometallics. 35: 429-438. DOI: 10.1021/Acs.Organomet.5B00643  0.368
2016 GUPTA T, VELMURUGAN G, RAJESHKUMAR T, RAJARAMAN G. Role of Lanthanide-Ligand bonding in the magnetization relaxation of mononuclear single-ion magnets: A case study on Pyrazole and Carbene ligated Ln I I I (Ln=Tb, Dy, Ho, Er) complexes Journal of Chemical Sciences. 128: 1615-1630. DOI: 10.1007/S12039-016-1147-4  0.839
2016 Rana S, Pandey B, Dey A, Haque R, Rajaraman G, Maiti D. A Doubly Biomimetic Synthetic Transformation: Catalytic Decarbonylation and Halogenation at Room Temperature by Vanadium Pentoxide Chemcatchem. 8: 3367-3374. DOI: 10.1002/Cctc.201600843  0.332
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  0.812
2015 Jayapal P, Ansari A, Rajaraman G. Computational Examination on the Active Site Structure of a (Peroxo)diiron(III) Intermediate in the Amine Oxygenase AurF. Inorganic Chemistry. PMID 26588098 DOI: 10.1021/Acs.Inorgchem.5B00872  0.458
2015 Yadav D, Kumar Siwatch R, Sinhababu S, Karwasara S, Singh D, Rajaraman G, Nagendran S. Digermylene Oxide Stabilized Group 11 Metal Iodide Complexes. Inorganic Chemistry. 54: 11067-76. PMID 26558406 DOI: 10.1021/Acs.Inorgchem.5B01436  0.439
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  0.742
2015 Ahmed N, Upadhyay A, Rajeshkumar T, Vaidya S, Schnack J, Rajaraman G, Shanmugam M. Carboxylate free μ-oxo bridged ferric wheel with a record exchange coupling. Dalton Transactions (Cambridge, England : 2003). 44: 18743-7. PMID 26479520 DOI: 10.1039/C5Dt02695D  0.839
2015 Comar P, Rajeshkumar T, Nichol GS, Pitak MB, Coles SJ, Rajaraman G, Brechin EK. Switching the orientation of Jahn-Teller axes in oxime-based Mn(III) dimers and its effect upon magnetic exchange: a combined experimental and theoretical study. Dalton Transactions (Cambridge, England : 2003). PMID 26474037 DOI: 10.1039/C5Dt03615A  0.84
2015 Vignesh KR, Langley SK, Moubaraki B, Murray KS, Rajaraman G. Large Hexadecametallic {Mn(III) -Ln(III) } Wheels: Synthesis, Structural, Magnetic, and Theoretical Characterization. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 16364-9. PMID 26403264 DOI: 10.1002/Chem.201503424  0.814
2015 Das C, Vaidya S, Gupta T, Frost JM, Righi M, Brechin EK, Affronte M, Rajaraman G, Shanmugam M. Single-Molecule Magnetism, Enhanced Magnetocaloric Effect, and Toroidal Magnetic Moments in a Family of Ln4 Squares. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 15639-50. PMID 26383786 DOI: 10.1002/Chem.201502720  0.852
2015 Costes JP, Titos-Padilla S, Oyarzabal I, Gupta T, Duhayon C, Rajaraman G, Colacio E. Analysis of the Role of Peripheral Ligands Coordinated to Zn(II) in Enhancing the Energy Barrier in Luminescent Linear Trinuclear Zn-Dy-Zn Single-Molecule Magnets. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 15785-96. PMID 26361252 DOI: 10.1002/Chem.201501500  0.839
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  0.872
2015 Ansari M, Vyas N, Ansari A, Rajaraman G. Oxidation of methane by an N-bridged high-valent diiron-oxo species: electronic structure implications on the reactivity. Dalton Transactions (Cambridge, England : 2003). PMID 25978584 DOI: 10.1039/C5Dt01060H  0.694
2015 Frost JM, Stirling RJ, Sanz S, Vyas N, Nichol GS, Rajaraman G, Brechin EK. Turning a "useless" ligand into a "useful" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes. Dalton Transactions (Cambridge, England : 2003). 44: 10177-87. PMID 25856756 DOI: 10.1039/C5Dt00884K  0.609
2015 Caballero-Jiménez J, Habib F, Ramírez-Rosales D, Grande-Aztatzi R, Merino G, Korobkov I, Singh MK, Rajaraman G, Reyes-Ortega Y, Murugesu M. Inducing magnetic communication in caged dinuclear Co(II) systems. Dalton Transactions (Cambridge, England : 2003). 44: 8649-59. PMID 25855583 DOI: 10.1039/C5Dt00497G  0.739
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  0.83
2015 Gupta SK, Dar AA, Rajeshkumar T, Kuppuswamy S, Langley SK, Murray KS, Rajaraman G, Murugavel R. Discrete {Gd(III)₄M} (M = Gd(III) or Co(II)) pentanuclear complexes: a new class of metal-organophosphate molecular coolers. Dalton Transactions (Cambridge, England : 2003). 44: 5961-5. PMID 25731596 DOI: 10.1039/C4Dt03655G  0.808
2015 Karwasara S, Yadav D, Jha CK, Rajaraman G, Nagendran S. Single-step conversion of silathiogermylene to germaacid anhydrides: unusual reactivity. Chemical Communications (Cambridge, England). 51: 4310-3. PMID 25675088 DOI: 10.1039/C5Cc00169B  0.378
2015 Rajeshkumar T, Annadata HV, Evangelisti M, Langley SK, Chilton NF, Murray KS, Rajaraman G. Theoretical studies on polynuclear {Cu(II)5Gd(III)n} clusters (n = 4, 2): towards understanding their large magnetocaloric effect. Inorganic Chemistry. 54: 1661-70. PMID 25615271 DOI: 10.1021/Ic502651W  0.824
2015 Vignesh KR, Langley SK, Murray KS, Rajaraman G. What controls the magnetic exchange interaction in mixed- and homo-valent Mn7 disc-like clusters? A theoretical perspective. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 2881-92. PMID 25524418 DOI: 10.1002/Chem.201405679  0.82
2015 Fohlmeister L, Vignesh KR, Winter F, Moubaraki B, Rajaraman G, Pöttgen R, Murray KS, Jones C. Neutral diiron(III) complexes with Fe₂(μ-E)₂ (E = O, S, Se) core structures: reactivity of an iron(I) dimer towards chalcogens. Dalton Transactions (Cambridge, England : 2003). 44: 1700-8. PMID 25462174 DOI: 10.1039/C4Dt03081H  0.74
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  0.679
2015 Ansari A, Jayapal P, Rajaraman G. C-H bond activation by metal-superoxo species: what drives high reactivity? Angewandte Chemie (International Ed. in English). 54: 564-8. PMID 25418430 DOI: 10.1002/Anie.201409844  0.469
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  0.822
2015 Choudhury D, Rajaraman G, Sarkar SK. Stability of molecular layer deposited zincone films: experimental and theoretical exploration Rsc Advances. 5: 29947-29952. DOI: 10.1039/C5Ra02928G  0.324
2015 Sinha S, Choudhury D, Rajaraman G, Sarkar SK. Atomic layer deposition of Zn3N2 thin films: growth mechanism and application in thin film transistor Rsc Advances. 5: 22712-22717. DOI: 10.1039/C4Ra12776E  0.312
2015 Katari M, Rajaraman G, Ghosh P. An insight into a base-free Michael addition reaction as catalyzed by a bifunctional nickel N-heterocyclic carbene complex using density functional theory studies Journal of Organometallic Chemistry. 775: 109-116. DOI: 10.1016/J.Jorganchem.2014.02.012  0.418
2015 Pandey B, Ansari A, Vyas N, Rajaraman G. Structures, bonding and reactivity of iron and manganese high-valent metal-oxo complexes: A computational investigation Journal of Chemical Sciences. 127: 343-352. DOI: 10.1007/S12039-015-0770-9  0.447
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  0.86
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  0.865
2014 Yadav D, Siwatch RK, Mukherjee G, Rajaraman G, Nagendran S. Use of thio and seleno germanones as ligands: silver(I) halide complexes with Ge═E→Ag-I (E = S, Se) moieties and chalcogen-dependent argentophilic interaction. Inorganic Chemistry. 53: 10054-9. PMID 25198680 DOI: 10.1021/Ic5008389  0.473
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  0.835
2014 Heras-Ojea MJ, Mañeru DR, Rosado L, Zuazo JR, Castro GR, Tewary S, Rajaraman G, Aromí G, Jiménez E, Sañudo EC. Characterization of a robust co(II) fluorescent complex deposited intact on HOPG. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 10439-45. PMID 24989818 DOI: 10.1002/Chem.201402814  0.827
2014 Frost JM, Sanz S, Rajeshkumar T, Pitak MB, Coles SJ, Rajaraman G, Wernsdorfer W, Schnack J, Lusby PJ, Brechin EK. A truncated [Mn(III)₁₂] tetrahedron from oxime-based [Mn(III)₃O] building blocks. Dalton Transactions (Cambridge, England : 2003). 43: 10690-4. PMID 24875676 DOI: 10.1039/C4Dt01469C  0.795
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  0.838
2014 Ansari A, Rajaraman G. ortho-Hydroxylation of aromatic acids by a non-heme Fe(V)=O species: how important is the ligand design? Physical Chemistry Chemical Physics : Pccp. 16: 14601-13. PMID 24812659 DOI: 10.1039/C3Cp55430A  0.496
2014 Siwatch RK, Yadav D, Mukherjee G, Rajaraman G, Nagendran S. Are ligand-stabilized carboxylic acid derivatives with Ge═Te bonds isolable? Inorganic Chemistry. 53: 5073-9. PMID 24807011 DOI: 10.1021/Ic500116F  0.424
2014 Gass IA, Tewary S, Rajaraman G, Asadi M, Lupton DW, Moubaraki B, Chastanet G, Létard JF, Murray KS. Solvate-dependent spin crossover and exchange in cobalt(II) oxazolidine nitroxide chelates. Inorganic Chemistry. 53: 5055-66. PMID 24805925 DOI: 10.1021/Ic5001057  0.847
2014 Gupta T, Rajeshkumar T, Rajaraman G. Magnetic exchange in {Gd(III)-radical} complexes: method assessment, mechanism of coupling and magneto-structural correlations. Physical Chemistry Chemical Physics : Pccp. 16: 14568-77. PMID 24709836 DOI: 10.1039/C4Cp00214H  0.843
2014 Upadhyay A, Rajpurohit J, Kumar Singh M, Dubey R, Srivastava AK, Kumar A, Rajaraman G, Shanmugam M. Hydroxo-bridged dimers of oxo-centered ruthenium(III) triangle: synthesis and spectroscopic and theoretical investigations. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 6061-70. PMID 24700566 DOI: 10.1002/Chem.201304826  0.758
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  0.791
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  0.761
2014 Sanz S, Frost JM, Rajeshkumar T, Dalgarno SJ, Rajaraman G, Wernsdorfer W, Schnack J, Lusby PJ, Brechin EK. Combining complementary ligands into one framework for the construction of a ferromagnetically coupled [Mn(III)12] wheel. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 3010-3. PMID 24470126 DOI: 10.1002/Chem.201304740  0.791
2014 Ansari A, Rajaraman G. Dataset for Modelling Reaction Mechanisms Using Density Functional Theory: Mechanism of ortho-Hydroxylation by High-Valent Iron-Oxo Species Dataset Papers in Science. 2014: 1-7. DOI: 10.1155/2014/753131  0.321
2014 McDonald C, Sanz S, Brechin EK, Singh MK, Rajaraman G, Gaynor D, Jones LF. High nuclearity Ni(ii) cages from hydroxamate ligands Rsc Advances. 4: 38182-38191. DOI: 10.1039/C4Ra06064D  0.774
2014 Gupta T, Rajaraman G. How strongly are the magnetic anisotropy and coordination numbers correlated in lanthanide based molecular magnets? Journal of Chemical Sciences. 126: 1569-1579. DOI: 10.1007/S12039-014-0691-Z  0.852
2014 Pedersen KS, Lorusso G, Morales JJ, Weyhermüller T, Piligkos S, Singh SK, Larsen D, Schau-Magnussen M, Rajaraman G, Evangelisti M, Bendix J. Inside Cover: Fluoride-Bridged {GdIII3MIII2} (M=Cr, Fe, Ga) Molecular Magnetic Refrigerants (Angew. Chem. Int. Ed. 9/2014) Angewandte Chemie International Edition. 53: 2254-2254. DOI: 10.1002/Anie.201400663  0.473
2014 Pedersen KS, Lorusso G, Morales JJ, Weyhermüller T, Piligkos S, Singh SK, Larsen D, Schau-Magnussen M, Rajaraman G, Evangelisti M, Bendix J. Innentitelbild: Fluoride-Bridged {GdIII3MIII2} (M=Cr, Fe, Ga) Molecular Magnetic Refrigerants (Angew. Chem. 9/2014) Angewandte Chemie. 126: 2286-2286. DOI: 10.1002/Ange.201400663  0.476
2013 Singh SK, Rajaraman G. Can anisotropic exchange be reliably calculated using density functional methods? A case study on trinuclear Mn(III)-M(III)-Mn(III) (M=Fe, Ru, and Os) cyanometalate single-molecule magnets. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 113-23. PMID 24288194 DOI: 10.1002/Chem.201303489  0.784
2013 Siwatch RK, Yadav D, Mukherjee G, Rajaraman G, Nagendran S. Digermylene oxide complexes: facile synthesis and reactivity. Inorganic Chemistry. 52: 13384-91. PMID 24215646 DOI: 10.1021/Ic401720E  0.443
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  0.786
2013 Jaccob M, Ansari A, Pandey B, Rajaraman G. Theoretical studies on concerted versus two steps hydrogen atom transfer reaction by non-heme Mn(IV/III)=O complexes: how important is the oxo ligand basicity in the C-H activation step? Dalton Transactions (Cambridge, England : 2003). 42: 16518-26. PMID 24068118 DOI: 10.1039/C3Dt52290C  0.732
2013 Barros WP, Inglis R, Nichol GS, Rajeshkumar T, Rajaraman G, Piligkos S, Stumpf HO, Brechin EK. From antiferromagnetic to ferromagnetic exchange in a family of oxime-based Mn(III) dimers: a magneto-structural study. Dalton Transactions (Cambridge, England : 2003). 42: 16510-7. PMID 24008774 DOI: 10.1039/C3Dt52009A  0.804
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  0.804
2013 Scott HS, Ross TM, Chilton NF, Gass IA, Moubaraki B, Chastanet G, Paradis N, Lètard JF, Vignesh KR, Rajaraman G, Batten SR, Murray KS. Crown-linked dipyridylamino-triazine ligands and their spin-crossover iron(II) derivatives: magnetism, photomagnetism and cooperativity. Dalton Transactions (Cambridge, England : 2003). 42: 16494-509. PMID 23942475 DOI: 10.1039/C3Dt51839F  0.829
2013 Gass IA, Tewary S, Nafady A, Chilton NF, Gartshore CJ, Asadi M, Lupton DW, Moubaraki B, Bond AM, Boas JF, Guo SX, Rajaraman G, Murray KS. Observation of ferromagnetic exchange, spin crossover, reductively induced oxidation, and field-induced slow magnetic relaxation in monomeric cobalt nitroxides. Inorganic Chemistry. 52: 7557-72. PMID 23777336 DOI: 10.1021/Ic400565H  0.853
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  0.785
2013 Murthi P, Kalionis B, Cocquebert M, Rajaraman G, Chui A, Keogh RJ, Evain-Brion D, Fournier T. Homeobox genes and down-stream transcription factor PPARγ in normal and pathological human placental development. Placenta. 34: 299-309. PMID 23484914 DOI: 10.1016/J.Placenta.2013.01.005  0.317
2013 Ansari A, Kaushik A, Rajaraman G. Mechanistic insights on the ortho-hydroxylation of aromatic compounds by non-heme iron complex: a computational case study on the comparative oxidative ability of ferric-hydroperoxo and high-valent Fe(IV)═O and Fe(V)═O intermediates. Journal of the American Chemical Society. 135: 4235-49. PMID 23373840 DOI: 10.1021/Ja307077F  0.438
2013 Singh SK, Rajaraman G. Decisive interactions that determine ferro/antiferromagnetic coupling in {3d-4f} pairs: a case study on dinuclear {V(IV)-Gd(III)} complexes. Dalton Transactions (Cambridge, England : 2003). 42: 3623-30. PMID 23292164 DOI: 10.1039/C2Dt32316H  0.779
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  0.816
2013 Totti F, Rajaraman G, Iannuzzi M, Sessoli R. Computational studies on SAMs of {Mn6} SMMs on Au(111): Do properties change upon grafting? Journal of Physical Chemistry C. 117: 7186-7190. DOI: 10.1021/Jp4009916  0.734
2013 Singh SK, Rajeshkumar T, Chandrasekhar V, Rajaraman G. Theoretical studies on {3d-Gd} and {3d-Gd-3d} complexes: Effect of metal substitution on the effective exchange interaction Polyhedron. 66: 81-86. DOI: 10.1016/J.Poly.2013.02.037  0.8
2013 Rajeshkumar T, Singh SK, Rajaraman G. A computational perspective on magnetic coupling, magneto-structural correlations and magneto-caloric effect of a ferromagnetically coupled {GdIII–GdIII} Pair Polyhedron. 52: 1299-1305. DOI: 10.1016/J.Poly.2012.06.017  0.792
2013 Schmidt M, Wiedemann D, Moubaraki B, Chilton NF, Murray KS, Vignesh KR, Rajaraman G, Grohmann A. Iron(II) Complexes of Two Amine/Imine N5Chelate Ligands Containing a 1,4-Diazepane Core - To Crossover or Not To Crossover European Journal of Inorganic Chemistry. 2013: 958-967. DOI: 10.1002/Ejic.201201149  0.82
2013 Tewary S, Gass IA, Murray KS, Rajaraman G. Theoretical Perspectives on Redox “Non-Innocent” OxazolidineN-Oxide Iron Nitroxide Complexes European Journal of Inorganic Chemistry. 2013: 1024-1032. DOI: 10.1002/Ejic.201201077  0.834
2012 Baker ML, Timco GA, Piligkos S, Mathieson JS, Mutka H, Tuna F, Kozlowski P, Antkowiak M, Guidi T, Gupta T, Rath H, Woolfson RJ, Kamieniarz G, Pritchard RG, Weihe H, ... ... Rajaraman G, et al. A classification of spin frustration in molecular magnets from a physical study of large odd-numbered-metal, odd electron rings. Proceedings of the National Academy of Sciences of the United States of America. 109: 19113-8. PMID 23132941 DOI: 10.1073/Pnas.1213127109  0.833
2012 Sinhababu S, Siwatch RK, Mukherjee G, Rajaraman G, Nagendran S. Aminotroponiminatogermaacid halides with a Ge(E)X moiety (E = S, Se; X = F, Cl). Inorganic Chemistry. 51: 9240-8. PMID 22889150 DOI: 10.1021/Ic300715Y  0.468
2012 Jaccob M, Rajaraman G. A computational examination on the structure, spin-state energetics and spectroscopic parameters of high-valent Fe(IV)=NTs species. Dalton Transactions (Cambridge, England : 2003). 41: 10430-9. PMID 22821241 DOI: 10.1039/C2Dt31071F  0.741
2012 Rajeshkumar T, Rajaraman G. Is a radical bridge a route to strong exchange interactions in lanthanide complexes? A computational examination. Chemical Communications (Cambridge, England). 48: 7856-8. PMID 22751443 DOI: 10.1039/C2Cc33483F  0.762
2012 Jayapal P, Rajaraman G. On the controversy of metal ion composition on amine oxygenase (AurF): a computational investigation. Physical Chemistry Chemical Physics : Pccp. 14: 9050-3. PMID 22643637 DOI: 10.1039/C2Cp40874K  0.451
2012 Katari M, Rao MN, Rajaraman G, Ghosh P. Computational insight into a gold(I) N-heterocyclic carbene mediated alkyne hydroamination reaction. Inorganic Chemistry. 51: 5593-604. PMID 22563697 DOI: 10.1021/Ic2024605  0.432
2012 Berg N, Rajeshkumar T, Taylor SM, Brechin EK, Rajaraman G, Jones LF. What controls the magnetic interaction in bis-μ-alkoxo Mn(III) dimers? A combined experimental and theoretical exploration. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 5906-18. PMID 22461173 DOI: 10.1002/Chem.201102828  0.842
2012 Jaccob M, Rajaraman G, Totti F. On the kinetics and thermodynamics of S–X (X = H, CH3, SCH3, COCH3, and CN) cleavage in the formation of self-assembled monolayers of alkylthiols on Au(111) Theoretical Chemistry Accounts. 131. DOI: 10.1007/S00214-012-1150-X  0.675
2011 Sundararajan M, Rajaraman G, Ghosh SK. Speciation of uranyl ions in fulvic acid and humic acid: a DFT exploration. Physical Chemistry Chemical Physics : Pccp. 13: 18038-46. PMID 21931905 DOI: 10.1039/C1Cp21238A  0.381
2011 Singh SK, Tibrewal NK, Rajaraman G. Density functional studies on dinuclear {Ni(II)Gd(III)} and trinuclear {Ni(II)Gd(III)Ni(II)} complexes: magnetic exchange and magneto-structural maps. Dalton Transactions (Cambridge, England : 2003). 40: 10897-906. PMID 21842095 DOI: 10.1039/C1Dt10600G  0.785
2011 Sasmal S, Hazra S, Kundu P, Dutta S, Rajaraman G, Sañudo EC, Mohanta S. Magnetic exchange interactions and magneto-structural correlations in heterobridged μ-phenoxo-μ(1,1)-azide dinickel(II) compounds: a combined experimental and theoretical exploration. Inorganic Chemistry. 50: 7257-67. PMID 21699147 DOI: 10.1021/Ic200833Y  0.608
2011 Rajaraman G, Caneschi A, Gatteschi D, Totti F. A periodic mixed gaussians-plane waves DFT study on simple thiols on Au(111): adsorbate species, surface reconstruction, and thiols functionalization. Physical Chemistry Chemical Physics : Pccp. 13: 3886-95. PMID 21206961 DOI: 10.1039/C0Cp02042G  0.673
2010 Rajaraman G, Caneschi A, Gatteschi D, Totti F. A DFT exploration of the organization of thiols on Au(111): a route to self-assembled monolayer of magnetic molecules Journal of Materials Chemistry. 20: 10747. DOI: 10.1039/C0Jm02481C  0.738
2009 Cremades E, Cano J, Ruiz E, Rajaraman G, Milios CJ, Brechin EK. Theoretical methods enlighten magnetic properties of a family of Mn(6) single-molecule magnets. Inorganic Chemistry. 48: 8012-9. PMID 19624160 DOI: 10.1021/Ic900992R  0.711
2009 Rajaraman G, Totti F, Bencini A, Caneschi A, Sessoli R, Gatteschi D. Density functional studies on the exchange interaction of a dinuclear Gd(iii)-Cu(ii) complex: method assessment, magnetic coupling mechanism and magneto-structural correlations. Dalton Transactions (Cambridge, England : 2003). 3153-61. PMID 19421617 DOI: 10.1039/B817540C  0.83
2009 Piligkos S, Weihe H, Bill E, Neese F, El Mkami H, Smith GM, Collison D, Rajaraman G, Timco GA, Winpenny RE, McInnes EJ. EPR spectroscopy of a family of Cr(III) 7M(II) (M = Cd, Zn, Mn, Ni) "wheels": studies of isostructural compounds with different spin ground states. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 3152-67. PMID 19199301 DOI: 10.1002/Chem.200801895  0.797
2009 Bencini A, Rajaraman G, Totti F, Tusa M. Modeling thiols on Au(111): Structural, thermodynamic and magnetic properties of simple thiols and thiol-radicals Superlattices and Microstructures. 46: 4-9. DOI: 10.1016/J.Spmi.2008.12.006  0.446
2008 Atanasov M, Busche C, Comba P, El Hallak F, Martin B, Rajaraman G, van Slageren J, Wadepohl H. Trinuclear {M1}CN{M2}2 complexes (M1 = Cr(III), Fe(III), Co(III); M2 = Cu(II), Ni(II), Mn(II)). Are single molecule magnets predictable? Inorganic Chemistry. 47: 8112-25. PMID 18714990 DOI: 10.1021/Ic800556C  0.809
2008 Murthi P, Hiden U, Rajaraman G, Liu H, Borg AJ, Coombes F, Desoye G, Brennecke SP, Kalionis B. Novel homeobox genes are differentially expressed in placental microvascular endothelial cells compared with macrovascular cells. Placenta. 29: 624-630. PMID 18514308 DOI: 10.1016/J.Placenta.2008.04.006  0.305
2008 Comba P, Lang C, Lopez de Laorden C, Muruganantham A, Rajaraman G, Wadepohl H, Zajaczkowski M. The mechanism of the (bispidine)copper(II)-catalyzed aziridination of styrene: a combined experimental and theoretical study. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 5313-28. PMID 18431732 DOI: 10.1002/Chem.200701910  0.706
2008 Comba P, Rajaraman G. Epoxidation and 1,2-dihydroxylation of alkenes by a nonheme iron model system - DFT supports the mechanism proposed by experiment. Inorganic Chemistry. 47: 78-93. PMID 18072762 DOI: 10.1021/Ic701161R  0.704
2008 Comba P, Knoppe S, Martin B, Rajaraman G, Rolli C, Shapiro B, Stork T. CopperII-mediated aromatic ortho-hydroxylation: a hybrid DFT and AB initio exploration. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 344-57. PMID 17907133 DOI: 10.1002/Chem.200700865  0.673
2008 Atanasov M, Busche C, Comba P, El Hallak F, Martin B, Rajaraman G, Van Slageren J, Wadepohl H. Trinuclear {M1}CN{M2}2 complexes (M 1 = CrIII, FeIII, CoIII; M 2 = CuII, NiII, MnII). Are single molecule magnets predictable? Inorganic Chemistry. 47: 8112-8125. DOI: 10.1021/ic800556c  0.739
2008 Jayapal P, Sundararajan M, Rajaraman G, Venuvanalingam P, Kalagi R, Gadre SR. Is corannulene a better diene or dienophile? A DFT analysis Journal of Physical Organic Chemistry. 21: 146-154. DOI: 10.1002/Poc.1299  0.37
2007 Prescimone A, Wolowska J, Rajaraman G, Parsons S, Wernsdorfer W, Murugesu M, Christou G, Piligkos S, McInnes EJ, Brechin EK. Studies of a linear single-molecule magnet. Dalton Transactions (Cambridge, England : 2003). 5282-9. PMID 18271484 DOI: 10.1039/B713163A  0.786
2007 Bautz J, Comba P, Lopez de Laorden C, Menzel M, Rajaraman G. Biomimetic high-valent non-heme iron oxidants for the cis-dihydroxylation and epoxidation of olefins. Angewandte Chemie (International Ed. in English). 46: 8067-70. PMID 17868164 DOI: 10.1002/Anie.200701681  0.617
2007 Rajaraman G, Murthi P, Leo B, Brennecke SP, Kalionis B. Homeobox gene HLX1 is a regulator of colony stimulating factor-1 dependent trophoblast cell proliferation. Placenta. 28: 991-998. PMID 17532041 DOI: 10.1016/J.Placenta.2007.03.011  0.308
2007 Comba P, Rajaraman G, Rohwer H. A density functional theory study of the reaction of the biomimetic iron(II) complex of a tetradentate bispidine ligand with H2O2. Inorganic Chemistry. 46: 3826-38. PMID 17425302 DOI: 10.1021/Ic061129Y  0.712
2006 Tolis EI, Engelhardt LP, Mason PV, Rajaraman G, Kindo K, Luban M, Matsuo A, Nojiri H, Raftery J, Schröder C, Timco GA, Tuna F, Wernsdorfer W, Winpenny RE. Studies of an Fe9 tridiminished icosahedron. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 8961-8. PMID 17009372 DOI: 10.1002/Chem.200600400  0.703
2006 Rajaraman G, Wang GQ, Yan J, Jiang P, Gong Y, Burczynski FJ. Role of cytosolic liver fatty acid binding protein in hepatocellular oxidative stress: effect of dexamethasone and clofibrate treatment. Molecular and Cellular Biochemistry. 295: 27-34. PMID 16924418 DOI: 10.1007/S11010-006-9268-6  0.336
2006 Milios CJ, Manoli M, Rajaraman G, Mishra A, Budd LE, White F, Parsons S, Wernsdorfer W, Christou G, Brechin EK. A family of [Mn6] complexes featuring tripodal ligands. Inorganic Chemistry. 45: 6782-93. PMID 16903735 DOI: 10.1021/Ic060676G  0.71
2006 Atanasov M, Comba P, Martin B, Müller V, Rajaraman G, Rohwer H, Wunderlich S. DFT models for copper(II) bispidine complexes: structures, stabilities, isomerism, spin distribution, and spectroscopy. Journal of Computational Chemistry. 27: 1263-77. PMID 16786541 DOI: 10.1002/Jcc.20412  0.717
2006 Comba P, Lampeka YD, Prikhod'ko AI, Rajaraman G. Determination of the solution structures of melamine-based bis- and tris-macrocyclic ligand copper(II) complexes. Inorganic Chemistry. 45: 3632-8. PMID 16634595 DOI: 10.1021/Ic052124O  0.739
2006 Low DM, Rajaraman G, Helliwell M, Timco G, van Slageren J, Sessoli R, Ochsenbein ST, Bircher R, Dobe C, Waldmann O, Güdel HU, Adams MA, Ruiz E, Alvarez S, McInnes EJ. A family of ferro- and antiferromagnetically coupled decametallic chromium(III) wheels. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 1385-96. PMID 16315201 DOI: 10.1002/Chem.200501041  0.813
2006 Talbot-Eeckelaers CE, Rajaraman G, Cano J, Aromí G, Ruiz E, Brechin EK. Encouraging Chromium(III) Ions to Form Larger Clusters: Syntheses, Structures, Magnetic Properties and Theoretical Studies of Di- and Octametallic Cr Clusters European Journal of Inorganic Chemistry. 2006: 3382-3392. DOI: 10.1002/Ejic.200600377  0.685
2006 Tolis EI, Engelhardt LP, Mason PV, Rajaraman G, Kindo K, Luban M, Matsuo A, Nojiri H, Raftery J, Schröder C, Timco GA, Tuna F, Wernsdorfer W, Winpenny REP. Studies of an Fe9 tridiminished icosahedron Chemistry - a European Journal. 12: 8961-8968. DOI: 10.1002/chem.200600400  0.265
2005 Rajaraman G, Roberts MS, Hung D, Wang GQ, Burczynski FJ. Membrane binding proteins are the major determinants for the hepatocellular transmembrane flux of long-chain fatty acids bound to albumin. Pharmaceutical Research. 22: 1793-804. PMID 16091995 DOI: 10.1007/S11095-005-7248-2  0.305
2005 Rajaraman G, Christensen KE, Larsen FK, Timco GA, Winpenny RE. Theoretical studies on di- and tetra-nuclear Ni pivalate complexes. Chemical Communications (Cambridge, England). 3053-5. PMID 15959582 DOI: 10.1039/B502115D  0.72
2005 Ruiz E, Rajaraman G, Alvarez S, Gillon B, Stride J, Clérac R, Larionova J, Decurtins S. Symmetry and topology determine the MoV-CN-MnII exchange interactions in high-spin molecules. Angewandte Chemie (International Ed. in English). 44: 2711-5. PMID 15828038 DOI: 10.1002/Anie.200500129  0.434
2005 Piligkos S, Rajaraman G, Soler M, Kirchner N, van Slageren J, Bircher R, Parsons S, Güdel HU, Kortus J, Wernsdorfer W, Christou G, Brechin EK. Studies of an enneanuclear manganese single-molecule magnet. Journal of the American Chemical Society. 127: 5572-80. PMID 15826195 DOI: 10.1021/Ja042302X  0.797
2005 Burczynski FJ, Hung D, Wang GQ, Elmadhoun B, Lewis A, Chang P, Rajaraman G, Robert S. Assessing the cellular transmembrane electrical potential difference on the hepatic uptake of palmitate. Molecular and Cellular Biochemistry. 270: 115-24. PMID 15792360 DOI: 10.1007/S11010-005-5267-2  0.366
2005 Sundararajan M, Rajaraman G, Jayapal P, Tamilmani V, Venuvanalingam P. An ab initio and DFT study on the hydrolysis of carbonyl dichloride Journal of Molecular Structure: Theochem. 730: 155-160. DOI: 10.1016/J.Theochem.2005.06.018  0.426
2005 Rajaraman G, Sañudo EC, Helliwell M, Piligkos S, Wernsdorfer W, Christou G, Brechin EK. Magnetic and theoretical characterization of a ferromagnetic Mn(III) dimer Polyhedron. 24: 2450-2454. DOI: 10.1016/J.Poly.2005.03.046  0.714
2005 Rajaraman G, Ruiz E, Cano J, Alvarez S. Theoretical determination of the exchange coupling constants of a single-molecule magnet Fe10 complex Chemical Physics Letters. 415: 6-9. DOI: 10.1016/J.Cplett.2005.08.037  0.539
2005 Stephan H, Geipel G, Bernhard G, Comba P, Rajaraman G, Hahn U, Vögtle F. Synthesis and binding properties of dendritic oxybathophenanthroline ligands towards copper(II) European Journal of Inorganic Chemistry. 4501-4508. DOI: 10.1002/Ejic.200500176  0.699
2004 Rajaraman G, Murugesu M, Sañudo EC, Soler M, Wernsdorfer W, Helliwell M, Muryn C, Raftery J, Teat SJ, Christou G, Brechin EK. A family of manganese rods: syntheses, structures, and magnetic properties. Journal of the American Chemical Society. 126: 15445-57. PMID 15563172 DOI: 10.1021/Ja0471929  0.676
2004 Chaboussant G, Basler R, Güdel HU, Ochsenbein S, Parkin A, Parsons S, Rajaraman G, Sieber A, Smith AA, Timco GA, Winpenny RE. Nickel pivalate complexes: structural variations and magnetic susceptibility and inelastic neutron scattering studies. Dalton Transactions (Cambridge, England : 2003). 2758-66. PMID 15514763 DOI: 10.1039/B406112H  0.714
2004 Jones LF, Rajaraman G, Brockman J, Murugesu M, Sanudo EC, Raftery J, Teat SJ, Wernsdorfer W, Christou G, Brechin EK, Collison D. New routes to polymetallic clusters: fluoride-based tri-, deca-, and hexaicosametallic MnIII clusters and their magnetic properties. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 5180-94. PMID 15372650 DOI: 10.1002/Chem.200400301  0.753
2004 Rajaraman G, Burczynski FJ. Effect of dexamethasone, 2-bromopalmitate and clofibrate on L-FABP mediated hepatoma proliferation. The Journal of Pharmacy and Pharmacology. 56: 1155-61. PMID 15324484 DOI: 10.1211/0022357044111  0.34
2004 Christian P, Rajaraman G, Harrison A, Helliwell M, McDouall JJ, Raftery J, Winpenny RE. Synthesis and studies of a trinuclear Mn(II) carboxylate complex. Dalton Transactions (Cambridge, England : 2003). 2550-5. PMID 15303171 DOI: 10.1039/B407126C  0.714
2004 Christian P, Rajaraman G, Harrison A, McDouall JJ, Raftery JT, Winpenny RE. Structural, magnetic and DFT studies of a hydroxide-bridged [Cr8] wheel. Dalton Transactions (Cambridge, England : 2003). 1511-2. PMID 15252595 DOI: 10.1039/B404031G  0.706
2004 Rajaraman G, Cano J, Brechin EK, McInnes EJ. Density functional calculations of a tetradecametallic iron(III) cluster with a very large spin ground state. Chemical Communications (Cambridge, England). 1476-7. PMID 15216338 DOI: 10.1039/B403496A  0.721
2004 Abu-Nawwas AA, Cano J, Christian P, Mallah T, Rajaraman G, Teat SJ, Winpenny RE, Yukawa Y. An FeIII wheel with a zwitterionic ligand: the structure and magnetic properties of [Fe(OMe)2(proline)]12[ClO4]12. Chemical Communications (Cambridge, England). 314-5. PMID 14740054 DOI: 10.1039/B312947K  0.691
2004 Piligkos S, Collison D, Oganesyan VS, Rajaraman G, Timco GA, Thomson AJ, Winpenny REP, McInnes EJL. Single-crystal parallel-mode EPR spectroscopy of an S=6 ground-state transition-metal cluster Physical Review B - Condensed Matter and Materials Physics. 69: 134424-1-134424-8. DOI: 10.1103/Physrevb.69.134424  0.706
2004 Moragues-Cánovas M, Rivière É, Ricard L, Paulsen C, Wernsdorfer W, Rajaraman G, Brechin E, Mallah T. Resonant Quantum Tunneling in a New Tetranuclear Iron(III)-Based Single-Molecule Magnet Advanced Materials. 16: 1101-1105. DOI: 10.1002/Adma.200306479  0.614
2003 Larsen FK, McInnes EJ, El Mkami H, Overgaard J, Piligkos S, Rajaraman G, Rentschler E, Smith AA, Smith GM, Boote V, Jennings M, Timco GA, Winpenny RE. Synthesis and characterization of heterometallic {Cr7M} wheels. Angewandte Chemie (International Ed. in English). 42: 101-5. PMID 19757603 DOI: 10.1002/Anie.200390034  0.734
2003 Jones LF, Brechin EK, Collison D, Helliwell M, Mallah T, Piligkos S, Rajaraman G, Wernsdorfer W. A novel undecametallic iron(III) cluster with an S = (11)/(2) spin ground state. Inorganic Chemistry. 42: 6601-3. PMID 14552609 DOI: 10.1021/Ic034654V  0.75
2003 Collison D, Murrie M, Oganesyan VS, Piligkos S, Poolton NR, Rajaraman G, Smith GM, Thomson AJ, Timko GA, Wernsdorfer W, Winpenny RE, McInnes EJ. Magnetic and optical studies on an S = 6 ground-state cluster [Cr12O9(OH)3(O2CCMe3)15]: determination of, and the relationship between, single-ion and cluster spin Hamiltonian parameters. Inorganic Chemistry. 42: 5293-303. PMID 12924901 DOI: 10.1021/Ic034541B  0.831
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