The keto-enol tautomerization of ethyl acetoacetate in choline ionic liquids: the role of cation and anion in switching the tautomeric equilibrium von Kumar, Madhu Deepan, Jaccob, Madhavan

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Exploring electron donor and acceptor effects: DFT analysis of ESIPT/GSIPT in 2-(oxazolinyl)-phenols for photophysical and luminophore enhancement von Panneerselvam, Murugesan, Francis, Reshma Rensil, Nathiya, Singaravel, Solomon, Rajadurai Vijay, Jaccob, Madhavan, Costa, Luciano T.

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Pyrene Schiff Base: Photophysics, Aggregation Induced Emission, and Antimicrobial Properties von Kathiravan, Arunkumar, Sundaravel, Karuppasamy, Jaccob, Madhavan, Dhinagaran, Ganesan, Rameshkumar, Angappan, Arul Ananth, Devanesan, Sivasudha, Thilagar

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Synthesis, density functional theory and sensitization of indole dyes von Kathiravan, Arunkumar, Khamrang, Themmila, Velusamy, Marappan, Jaccob, Madhavan

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Pathways of the Extremely Reactive Iron(IV)‐oxido complexes with Tetradentate Bispidine Ligands von Abu‐Odeh, Mahmud, Bleher, Katharina, Johnee Britto, Neethinathan, Comba, Peter, Gast, Michael, Jaccob, Madhavan, Kerscher, Marion, Krieg, Saskia, Kurth, Marius

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IoT-enabled dye-sensitized solar cells: an effective embedded tool for monitoring the outdoor device performance von Khamrang, Themmila, Velusamy, Marappan, Ramesh, Mohan, Jhonsi, Mariadoss Asha, Jaccob, Madhavan, Ramasubramanian, Kanagachidambaresan, Kathiravan, Arunkumar

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A combined experimental and computational investigation on pyrene based D-π-A dyes von Khamrang, Themmila, Velusamy, Marappan, Jaccob, Madhavan, Ramesh, Mohan, Kathiresan, Murugavel, Kathiravan, Arunkumar

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Synthesis and electronic properties of A3B-thienyl porphyrins: experimental and computational investigations von Poomani Ram Kumar, Britto, Neethinathan Johnee, Kathiravan, Arunkumar, Neels, Antonia, Madhavan Jaccob, Mothi, Ebrahim M

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Halogen-Based 17β-HSD1 Inhibitors: Insights from DFT, Docking, and Molecular Dynamics Simulation Studies von Kulandaisamy, Arulsamy, Panneerselvam, Murugesan, Solomon, Rajadurai Vijay, Jaccob, Madhavan, Ramakrishnan, Jaganathan, Poomani, Kumaradhas, Maruthamuthu, Muralikannan, Tharmalingam, Nagendran

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New D–D′–A Configured Dye for Efficient Dye-Sensitized Solar Cells von Khamrang, Themmila, Seetharaman, Ashank, Kumar, Madhu Deepan, Velusamy, Marappan, Jaccob, Madhavan, Ramesh, Mohan, Kathiresan, Murugavel, Kathiravan, Arunkumar

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Unusual intramolecular CH⋯O hydrogen bonding interaction between a sterically bulky amide and uranyl oxygen von Kannan, Shanmugaperumal, Kumar, Mukesh, Sadhu, Biswajit, Jaccob, Madhavan, Sundararajan, Mahesh

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A Structural and Functional Model for the Tris‐Histidine Motif in Cysteine Dioxygenase von Anandababu, Karunanithi, Ramasubramanian, Ramamoorthy, Wadepohl, Hubert, Comba, Peter, Johnee Britto, Neethinathan, Jaccob, Madhavan, Mayilmurugan, Ramasamy

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Mechanistic Insights on the Formation of High‐Valent MnIII/IV=O Species Using Oxygen as Oxidant: A Theoretical Perspective von Sen, Asmita, Vyas, Nidhi, Pandey, Bhawana, Jaccob, Madhavan, Rajaraman, Gopalan

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Theoretical studies on concerted versus two steps hydrogen atom transfer reaction by non-heme MnIV/IIIO complexes: how important is the oxo ligand basicity in the C–H activation s... von Jaccob, Madhavan, Ansari, Azaj, Pandey, Bhawana, Rajaraman, Gopalan

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Role of anchoring groups on the light harvesting and optoelectronic properties of triphenylamine derivatives: insights from theory von Kathiravan, Arunkumar, Kumar, Madhu Deepan, Nagalakshmi Gayathri, M., Noel Joseph, J., Jaccob, Madhavan

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Aqueous phase hydrogenation of furfural on Ni/TiO2 catalysts: nature of the support phase steers the product selectivity von Anil Singh Rajpurohit, Venkata Rama Mohan Talla, Madhavan Jaccob, Krishnamurthy Konda Ramaswamy, Balasubramanian Viswanathan

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A diminutive modification in arylamine electron donors: synthesis, photophysics and solvatochromic analysis--towards the understanding of dye sensitized solar cell performances von Srinivasan, Venkatesan, Panneer, Murugesan, Jaccob, Madhavan, Pavithra, Nagaraj, Anandan, Sambandam, Kathiravan, Arunkumar

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Internet of Things-Enabled Aggregation-Induced Emission Probe for Cu2+ Ions: Comprehensive Investigations and Three-Dimensional Printed Portable Device Design von Kathiravan, Arunkumar, Khamrang, Themmila, Dhenadhayalan, Namasivayam, Lin, King-Chuen, Ramasubramanian, Kanagachidambaresan, Jaccob, Madhavan, Velusamy, Marappan

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Role of Anation on the Mechanism of Proton Reduction Involving a Pentapyridine Cobalt Complex: A Theoretical Study von Panneerselvam, Murugesan, Jaccob, Madhavan

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Unveiling the mechanistic landscape of formic acid dehydrogenation catalyzed by Cp∗M(III) catalysts (M = Co or Rh or Ir) with bis(pyrazol-1-yl)methane ligand architecture: A DFT in... von Johnee Britto, Neethinathan, Jaccob, Madhavan

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