Evaluation of Electrochemical Stability and Li-ion Interactions in Ether Functionalized Pyrrolidinium and Phospholanium Ionic Liquids
Pandian, Shanthi, Hariharan, Krishnan S., Adiga, Shashishekara P., Kolake, Subramanya Mayya
Published in Journal of the Electrochemical Society (05.01.2020)
Published in Journal of the Electrochemical Society (05.01.2020)
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Journal Article
Dioxygen Reactivity of New Bispidine-Copper Complexes
Comba, Peter, Haaf, Christina, Helmle, Stefan, Karlin, Kenneth D, Pandian, Shanthi, Waleska, Arkadius
Published in Inorganic chemistry (05.03.2012)
Published in Inorganic chemistry (05.03.2012)
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Journal Article
MoS 2 Quantum Dots: Effect of Hydrogenation on Surface Stability and H 2 S Release
Shinde, Prashant P., Adiga, Shashishekar P., Pandian, Shanthi, Ramachandran, Sanoop, Hariharan, Krishnan S., Kolake, Subramanya M.
Published in Journal of physical chemistry. C (21.11.2019)
Published in Journal of physical chemistry. C (21.11.2019)
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Journal Article
Empirical Relationship between Chemical Structure and Redox Properties: Mathematical Expressions Connecting Structural Features to Energies of Frontier Orbitals and Redox Potentials for Organic Molecules
Tagade, Piyush M, Adiga, Shashishekar P, Park, Min Sik, Pandian, Shanthi, Hariharan, Krishnan S, Kolake, Subramanya Mayya
Published in Journal of physical chemistry. C (31.05.2018)
Published in Journal of physical chemistry. C (31.05.2018)
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Journal Article
Oxocobalt(IV) Complex Stabilized by Lewis Acid Interactions with Scandium(III) Ions
Pfaff, Florian Felix, Kundu, Subrata, Risch, Marcel, Pandian, Shanthi, Heims, Florian, Pryjomska-Ray, Iweta, Haack, Peter, Metzinger, Ramona, Bill, Eckhard, Dau, Holger, Comba, Peter, Ray, Kallol
Published in Angewandte Chemie (International ed.) (11.02.2011)
Published in Angewandte Chemie (International ed.) (11.02.2011)
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Journal Article
Functionalized ionic liquids as electrolytes for lithium-ion batteries
Pandian, Shanthi, Raju, S.G., Hariharan, Krishnan S., Kolake, Subramanya M., Park, Da-Hye, Lee, Myung-Jin
Published in Journal of power sources (15.07.2015)
Published in Journal of power sources (15.07.2015)
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Journal Article
Electrochemical Stability of Functionalized Cyclic Phosphonium (CylP+nA−) Ionic Liquid Based Battery Electrolytes
Dathar, Gopi Krishna Phani, Pandian, Shanthi, Raju, Srinivasa G., Park, Da-Hye, Kang, Hyo-Rang, Hariharan, Krishnan S.
Published in Journal of the Electrochemical Society (01.01.2016)
Published in Journal of the Electrochemical Society (01.01.2016)
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Journal Article
Method and system for performing molecular design using machine learning algorithms
ADIGA PARAMPALLI SHASHISHEKARA, HARIHARAN S KRISHNAN, TAGADE PIYUSH, PANDIAN SHANTHI
Year of Publication 22.11.2019
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Year of Publication 22.11.2019
Patent
Why does the enzyme SyrB2 chlorinate, but does not hydroxylate, saturated hydrocarbons? A density functional theory (DFT) study
Pandian, Shanthi, Vincent, Mark A, Hillier, Ian H, Burton, Neil A
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2009)
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2009)
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Journal Article
Mapping the potential energy surfaces for ring-closing metathesis reactions of prototypical dienes by electronic structure calculations
Hillier, Ian H, Pandian, Shanthi, Percy, Jonathan M, Vincent, Mark A
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2011)
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2011)
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Journal Article
Structures, spectroscopy and modeling of a rare set of isomeric copper(II) complexes
Comba, Peter, Pandian, Shanthi, Wadepohl, Hubert, Wiesner, Sebastian
Published in Inorganica Chimica Acta (01.08.2011)
Published in Inorganica Chimica Acta (01.08.2011)
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Journal Article
Prediction of ring formation efficiency via diene ring closing metathesis (RCM) reactions using the M06 density functional
Pandian, Shanthi, Hillier, Ian H., Vincent, Mark A., Burton, Neil A., Ashworth, Ian W., Nelson, David J., Percy, Jonathan M., Rinaudo, Giuseppe
Published in Chemical physics letters (07.07.2009)
Published in Chemical physics letters (07.07.2009)
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Journal Article
Why is RCM Favoured Over Dimerisation? Predicting and Estimating Thermodynamic Effective Molarities by Solution Experiments and Electronic Structure Calculations
Nelson, David J., Ashworth, Ian W., Hillier, Ian H., Kyne, Sara H., Pandian, Shanthi, Parkinson, John A., Percy, Jonathan M., Rinaudo, Giuseppe, Vincent, Mark A.
Published in Chemistry : a European journal (11.11.2011)
Published in Chemistry : a European journal (11.11.2011)
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Journal Article
Mapping the potential energy surfaces for ring-closing metathesis reactions of prototypical dienes by electronic structure calculationsElectronic supplementary information (ESI) available: Cartesian coordinates and energies for the stationary structures on the RCM potential energy surfaces, for the lowest energy conformers and more. See DOI: 10.1039/c0dt01314e
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Journal Article
Reversal of Stability on Metalation of Pentagonal-Bipyramidal (1-MB6H7 2- , 1-M-2-CB5H7 1- , and 1-M-2,4-C2B4H7) and Icosahedral (1-MB11H12 2- , 1-M-2-CB10H12 1- , and 1-M-2,4-C2B9H12) Boranes (M = Al, Ga, In, and Tl): Energetics of Condensation and Relationship to Binuclear Metallocenes
Pathak, Biswarup, Pandian, Shanthi, Hosmane, Narayan, Jemmis, Eluvathingal D
Published in Journal of the American Chemical Society (23.08.2006)
Published in Journal of the American Chemical Society (23.08.2006)
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Journal Article