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Publications (2011-Latest)

238.Sourav Ghosh, Punarbasu Roy, Naiwrit Karmodak, E. D. Jemmis, Govindasamy Mugesh, Nanoisozymes: Crystal Facet-Dependent Enzyme Mimetic Activity of V2O5 Nanomaterials, Angew. Chem. Int.Ed.(accepted, 2018)DOI:10.1002/ange.201800681.

237.Shyama Ramakrishnan, E. D. Jemmis, Origin of beta-agostic interaction in d0-transition metal alkyl complexes: Influence of ligands, J. Organomet. Chem., (accepted, 2018). DOI:https://doi.org/10.1016/j.jorganchem.2018.01.048.

236.Naiwrit Karmodak, E. D. Jemmis, Metal Templates and Boron Sources Controlling Borophene Structures: An Ab Initio Study, J. Phys. Chem. C, 122, 2268-2274 (2018).

235.Ramkumar Kannan, Sandeep Kumar, Alex Andrews, E. D. Jemmis, Ajay Venugopal, Consequence of Ligand Bite Angle on Bismuth Lewis Acidity, Inorg. Chem. 2017, 56, 9391-9395 (2017).

234.A. Ramaraj, K. Hari Krishna Reddy, Helena Keil, Dietmar Stalke, E. D. Jemmis, Balaji R. Jagirdar, Approaches to Sigma-complexes via Displacement of Agostic Interactions, an Experimental and Theoretical Investigation, Organometallics, 36, 2736-2745 (2017).

233.Joy Jyothish, E. D. Jemmis, A Halogen Bond Route to Shorten the Ultrashort Sextuple Bond in Cr2 and Mo2, Chem Commun (Camb), 53, 8168-8171 (2017).

232.Sagar Ghorai, E. D. Jemmis, A DFT study of the stabilization of B-B triple bond in a metallaborocycle: Contrasting electronic structures of boron and carbon analogs, Chem. Eur. J., 23, 9746-9751 (2017).

231.Naiwrit Karmodak, E. D. Jemmis, Dynamic behavior of the exohedral transition metal complexes of B40: eta6- and eta7-B40Cr(CO)3 and Cr(CO)3-eta7-B40-eta7-Cr(CO)3, J. Chem. Sci., 129, 1061-1067 (2017) (Charusita Chakravorty Special Issue).

230.Naiwrit Karmodak, E. D. Jemmis, Fragment approach to the electronic structure of tau-boron allotrope, Phys. Rev. B, 95, 165128 (2017). DOI: 10.1103/PhysRevB.95.165128

229.Naiwrit Karmodak, E. D. Jemmis, Role of Holes in borophenes: an ab-initio study of the structure and stability with and without metal template, Angew. Chem.,2017, 56, 10093-10097. DOI:10.1002/anie.201610584

228.Joy Jyothish, E. D. Jemmis, Contrasting Behavior of the Z Bonds in X-Z..Y Weak Interactions: Z = Main Group Elements Versus the Transition Metals, Inorg. Chem., 56, 1132-1143 (2017).

227.Naiwrit Karmodak, E. D. Jemmis, Exohedral complexation of B40, C60 and arenes with transition metals, A comparative DFT study, Chem An Asian J., 11, 3350-3354 (2016).

226.C. Sharma, A. K. Singh, Joy Jyothish, E. D. Jemmis, S. K. Awasthi, Experimental and Theoretical Study of Intramolecular Interaction in Structurally Rigid Beta-Keto Carboxylic Esters, RSC Advances, 6, 91689-91693 (2016).

225.C. Sharma, Joy Jyothish, M. Nethaji, E. D. Jemmis, and S. K. Awasthi, Synthetic, Crystallographic and Computational Studies of Extensively Hydrogen Bonded Bilayers in Thermally Stable Adamantane Hydroperoxides, Asian J. Org. Chem. 5, 1398-1405 (2016).

224.C. P. Priyakumari and E. D. Jemmis, An EP-SALC-MO approach to design Catena-sulfuranes, J. Chem. Sci. (Spl issue on Lewis Bond), 128, 1663-1669 (2016).

223. N. Ramanathan, K. Sundararajan, K. Vidya, E. D. Jemmis, Non-covalent C-Cl pi interaction in acetylene-carbon tetrachloride adducts: Matrix isolation infrared and ab initio computational studies, Spectrochimica Acta, A-Mol and Biomol Spect, 157, 69-78(2016).

222.Joy Jyothish, Jose Anex and E. D. Jemmis, Continuum in the X-Z---Y weak bonds: Z = main group elements, J. Comp. Chem. (Paul von Schleyer Special issue), 37, 270-279(2016).

221.K. Yesudas, E. D. Jemmis, K. Bhanuprakash, Ketocyanine dyes: impact of conjugation length on optical absorption and third-order polarizabilities, Phys Chem Chem Phys, 17, 12988-12999(2015).

220.Kaipanchery Vidya, E. D. Jemmis,Relative stabilities of condensed face sharing mono- and di-carboranes: CB20H18 and C2B19H18+, J. Organomet. Chem. (Russ Grimes, Special Issue), 798, 91-98(2015).

219.Changwei Wang, Yirong Mo, J. Philipp Wagner, Peter R. Schreiner, E. D. Jemmis, David Danovich, Sason Shaik, The Self-Association of Graphane Is Driven by London Dispersion and Enhanced Orbital Interactions, J. Chem. Theory and Computation., 11, 1621-1630(2015).

218.Rahul Kumar, Shyama Ramakrishnan, E. D. Jemmis, and Balaji R. Jagirdar, Implication of a Sigma Methane Complex En Route to Elimination of Methane from a Ruthenium Complex: An Experimental and Theoretical Investigation, Organometallics, 34, 1245-1254(2015).

217.Joy Jyothish, E. D. Jemmis and Kaipanchery Vidya, Negative hyperconjugation and red-, blue or zero-shift in X-Z---Y complexes, Faraday Discussions, 177, 33-50(2015).

216.Dibyendu Mallick and E. D. Jemmis, Structural Variations in Aromatic 2-electron Three-Membered Rings of the Main Group Elements, J. Chem. Sci., 127, 183-196(2015).

215.Subhendu Roy, U. Rosenthal, E. D. Jemmis, Metallacyclocumulenes: A Theoretical Perspective on the Structure, Bonding and Reactivity, Acc. Chem. Res., 47, 2917-2930 (2014).

214.K. Vidya and E. D. Jemmis, Designing stuffed hetero-fullerene nano-clusters: C26B46N12 and C14B58N12Li12, RSC Advances, 4, 30013-30018 (2014).

213.Subhendu Roy and E. D. Jemmis, Unexpected Mechanism for formal [2+2] Cycloadditions of Metallacyclocumulenes, Curr. Sci., Special Issue, 106, 1249-1254 (2014).

212.C. P. Priyakumari and E. D. Jemmis, Electron Counting Rules in Cluster Bonding - Polyhedral Boranes, Elemental Boron, and Boron-Rich Solids, in The Chemical Bond: Chemical Bonding Across the Periodic Table, Ed., G. Frenking, S. Shaik, pp. 113-147, Wiley-VCH, 2014.

211.C. P. Priyakumari, E. D. Jemmis, P3F92- : An all-pseudo-Pi* 2pi-aromatic, J. Am. Chem. Soc.,135, 16026-16029 (2013).

210. Dibyendu Mallick and E. D. Jemmis, Main Group Metal Clusters, in Comprehensive Inorganic Chemistry II, Eds-J. Reedijk, K. Poppelmeier,Vol. 9, Theory and Methods, Ed., Santiago Alvarez, Elsevier, 2013.

209.K. Sundararajan, N. Ramanathan, K.S. Viswanathan, K. Vidya, E. D. Jemmis,Complexes of acetylene-fluoroform: A matrix isolation and computational study, J. Mol. Str. 1049, 69-77, (2013).

208. K. Hari Krishna Reddy and E. D. Jemmis, Stabilization of diborane(4) by transition metalfragments and a novel metal to ? Dewar-Chatt-Duncanson model of back donation, Dalton Trans., 42, 10633-10639,(2013).

207. Haehnel, Martin; Ruhmann, Martin; Roy, Subhendu; Beweries, Torsten; Arndt, Perdita; Spannenberg, Anke; Villinger, Alexander; Jemmis, Eluvathingal; Schulz, Axel; Rosenthal, Uwe, Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides – An Experimental and Theoretical Study of Complexation vs. C-N Bond Activation, J. Am. Chem. Soc., 134,15979-15991 (2012).

206. Reactivity of Bispropargyl Sulfones under Basic Conditions: Interplay Between Garratt-Braverman and Schmittel/Myers-Saito Cyclization Pathway, Raja Mukherjee, Sayantan Mondal, Amit Basak, Dibyendu Mallick, Eluvathingal D. Jemmis, Chem. An Asian Journal, 7, 957, (2012).

205. David A. Addy, Nicholas Phillips, Glesni A. Pierce, Dragoslav Vidovic, Tobias Kramer, Dibyendu Mallick, Eluvathingal D. Jemmis, Gill Reid, and Simon Aldridge, (Dimethylamino)borylene and Related Complexes of Electron-Rich Metal Fragments: Generation of Nucleophile-Resistant Cations by Spontaneous Halide Ejection, Organometallics, 31, 1092-1102, (2012).

204. Subhendu Roy, Eluvathingal D. Jemmis, Axel Schulz, Torsten Beweries, and Uwe Rosenthal, Stabilization of an Unusual Four-Membered Metallacycloallene by a Transition Metal Fragment: A Novel Metal-Carbon Bond, Angew. Chemie, 51, 5347-5350 (2012).

203. Pattath Pancharatna, Musiri Balakrishnarajan, Eluvathingal D. Jemmis, Roald Hoffmann, Polyhedral Borane Analogues of the Benzynes and Beyond: Bonding in Variously Charged B12H10 Isomers, J. Am. Chem. Soc. 134, 5916-5920 (2012).

202. Katharina Kaleta, Martin Ruhmann, Oliver Theilmann, Subhendu Roy, Torsten Beweries, Perdita Arndt, Alexander Villinger, Eluvathingal D. Jemmis, Axel Schulz, and Uwe Rosenthal, Experimental and Theoretical Studies of Unusual Four-Membered Metallacycles from Reactions of Group 4 Metallocene Bis(trimethylsilyl) acetylene Complexes with the Sulfurdiimide Me3SiN=S=NSiMe3, Eur. J. Inorg. Chem. 4, 611-617 (2012).

201. Subhendu Roy, Eluvathingal D. Jemmis, Martin Ruhmann, Axel Schulz, Katharina Kaleta, Torsten Beweries, Uwe Rosenthal, Theoretical Studies on the Structure and Bonding of Metalla-cyclocumulenes, cyclopentynes and cycloallenes, Organometallics, 30, 2670-2679 (2011).

200. Bose, S.K., Geetharani, K., Sahoo, S., Reddy, K.H.K., Varghese, B., Jemmis, E.D., Ghosh, S, Synthesis, characterization, and electronic structure of new type of heterometallic boride clusters , Inorg. Chem. 50, 9414-9422 (2011).

199. Sounik Saha, Dibyendu Mallick, Ritankar Majumdar, Mithun Roy, Rajan R. Dighe, Eluvathingal D. Jemmis, and Akhil R. Chakravarty, Structure-Activity Relationship of Photocytotoxic Iron(III) Complexes of Modified Dipyridophenazine Ligands, Inorg. Chem. 50, 2975-2987 (2011).

198. K. Harikrishna Reddy, Dandamudi Usharani, John F. Nixon, and Eluvathingal D. Jemmis, Structure and Bonding in Stannadiphospholes and their dianions SnC2P2R2m (R= H, tBu m=0, -2): A comparative study with C5H5+ and C5H5- analogues, Chem. Eur. J. 17, 9142-9152 (2011)

197. Muir, R.M., A.M. Ibanez, S.L. Uratsu, E.S. Ingham, C.A. Leslie, G.H. McGranahan, N. Batra, S. Goyal., J. Joseph., E.D. Jemmis and A.M. Dandekar. Mechanism of gallic acid biosynthesis in bacteria (E.coli) and walnut (J.regia). Plant Mol. Biol. 75, 555-565 (2011).

196. Katharina Kaleta, Martin Ruhmann, Oliver Theilmann, Torsten Beweries, Subhendu Roy, Perdita Arndt, Alexander Villinger, Eluvathingal D. Jemmis, Axel Schulz, Uwe Rosenthal, Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes, J. Am. Chem. Soc. 133, 5463-5473 (2011).

195. Manasi Maji, Dibyendu Mallick, Sayantan Mondal, Anakuthil Anoop, Subhendu Sekhar Bag, Amit Basak and Eluvathingal D. Jemmis, Selectivity in Garratt-Braverman Cyclization: An Experimental and Computational Study, Organic Letters, 13, 888-891 (2011).

194. Sovan Roy, Subhendu Roy, Sounik Saha, Ritankar Majumdar, Rajan R. Dighe, Eluvathingal D. Jemmis, Akhil R. Chakravarty, Cobalt(II) complexes of terpyridine bases as photochemotherapeutic agents showing cellular uptake and photocytotoxicity in visible light, Dalton Trans., 40, 1233-1242 (2011).

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