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Browsing by Author RAJARAMAN, G

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Issue DateTitleAuthor(s)
2012Aminotroponiminatogermaacid Halides with a Ge(E)X Moiety (E = S, Se; X = F, Cl)SINHABABU, S; SIWATCH, RK; MUKHERJEE, G; RAJARAMAN, G; NAGENDRAN, S
2013Angular dependence of the exchange interaction in fluoride-bridged Gd-III-Cr-III complexesSINGH, SK; PEDERSEN, KS; SIGRIST, M; THUESEN, CA; SCHAU-MAGNUSSEN, M; MUTKA, H; PILIGKOS, S; WEIHE, H; RAJARAMAN, G; BENDIX, J
2012A classification of spin frustration in molecular magnets from a physical study of large odd-numbered-metal, odd electron ringsBAKER, 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; CRONIN, L; RAJARAMAN, G; COLLISON, D; MCINNES, EJL; WINPENNY, REP
2012A computational examination on the structure, spin-state energetics and spectroscopic parameters of high-valent Fe-IV=NTs speciesJACCOB, M; RAJARAMAN, G
2012Computational Insight into a Gold(I) N-Heterocyclic Carbene Mediated Alkyne Hydroamination ReactionKATARI, M; RAO, MN; RAJARAMAN, G; GHOSH, P
2013A computational perspective on magnetic coupling, magneto-structural correlations and magneto-caloric effect of a ferromagnetically coupled {Gd-III-Gd-III} pairRAJESHKUMAR, T; SINGH, SK; RAJARAMAN, G
2013Computational Studies on SAMs of {Mn-6} SMMs on Au(111): Do Properties Change upon Grafting?TOTTI, F; RAJARAMAN, G; IANNUZZI, M; SESSOLI, R
2013Decisive interactions that determine ferro/antiferromagnetic coupling in {3d-4f} pairs: a case study on dinuclear {V(IV)-Gd(III)} complexesSINGH, SK; RAJARAMAN, G
2011Density functional studies on dinuclear {Ni(II)Gd(III)} and trinuclear {Ni(II)Gd(III)Ni(II)} complexes: magnetic exchange and magneto-structural mapsSINGH, SK; TIBREWAL, NK; RAJARAMAN, G
2013Digermylene Oxide Complexes: Facile Synthesis and ReactivitySIWATCH, RK; YADAV, D; MUKHERJEE, G; RAJARAMAN, G; NAGENDRAN, S
2013Enhancing the double exchange interaction in a mixed valence {V-III-V-II} pair: a theoretical perspectiveGHOSH, S; SINGH, SK; TEWARY, S; RAJARAMAN, G
2013From antiferromagnetic to ferromagnetic exchange in a family of oxime-based Mn-III dimers: a magneto-structural studyBARROS, WP; INGLIS, R; NICHOL, GS; RAJESHKUMAR, T; RAJARAMAN, G; PILIGKOS, S; STUMPF, HO; BRECHIN, EK
2013Iron(II) Complexes of Two Amine/Imine N-5 Chelate Ligands Containing a 1,4-Diazepane Core - To Crossover or Not To CrossoverSCHMIDT, M; WIEDEMANN, D; MOUBARAKI, B; CHILTON, NF; MURRAY, KS; VIGNESH, KR; RAJARAMAN, G; GROHMANN, A
2012Is a radical bridge a route to strong exchange interactions in lanthanide complexes? A computational examinationRAJESHKUMAR, T; RAJARAMAN, G
2011Magnetic Exchange Interactions and Magneto-Structural Correlations in Heterobridged mu-Phenoxo-mu(1,1)-Azide Dinickel(II) Compounds: A Combined Experimental and Theoretical ExplorationSASMAL, S; HAZRA, S; KUNDU, P; DUTTA, S; RAJARAMAN, G; SANUDO, EC; MOHANTA, S
2011Magnetic Exchange Interactions and Magneto-Structural Correlations in Heterobridged mu-Phenoxo-mu(1,1)-Azide Dinickel(II) Compounds: A Combined Experimental and Theoretical ExplorationSASMAL, S; HAZRA, S; KUNDU, P; DUTTA, S; RAJARAMAN, G; SANUDO, EC; MOHANTA, S
2013Mechanistic 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 IntermediatesANSARI, A; KAUSHIK, A; RAJARAMAN, G
2013Observation of Ferromagnetic Exchange, Spin Crossover, Reductively Induced Oxidation, and Field-Induced Slow Magnetic Relaxation in Monomeric Cobalt NitroxidesGASS, 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
2012On the controversy of metal ion composition on amine oxygenase (AurF): a computational investigationJAYAPAL, P; RAJARAMAN, G
2012On 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)JACCOB, M; RAJARAMAN, G; TOTTI, F
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