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Browsing by Author VENKATNATHAN, ARUN

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Issue DateTitleAuthor(s)
Nov-2015Molecular Simulations of Anion and Temperature Dependence on Structure and Dynamics of 1-Hexyl-3-methylimidazolium Ionic LiquidsRAMYA, K. R.; Kumar, Praveen; VENKATNATHAN, ARUN; Dept. of Chemistry
Jun-2016Molecular mechanism of CO2 absorption in phosphonium amino acid ionic liquidPrakash, Prabhat; VENKATNATHAN, ARUN; Dept. of Chemistry
Mar-2017Quantum Mechanical Investigation of Proton Transport in Imidazolium Methanesulfonate Ionic liquidPant, Rakesh; Kumar, Milan; VENKATNATHAN, ARUN; Dept. of Chemistry
Nov-2017Atomistic simulation study of the hydrated structure and transport dynamics of a novel multi acid side chain polyelectrolyte membraneSengupta, Soumyadipta; Pant, Rakesh; Komarov, Pavel; VENKATNATHAN, ARUN; V.Lyulina, Alexey; Dept. of Chemistry
Feb-2018Unravelling the structural and dynamical complexity of the equilibrium liquid grain-binding layer in highly conductive organic crystalline electrolytesVENKATNATHAN, ARUN; Prakash, Prabhat et al.; Dept. of Chemistry
Jun-2018Site-Specific Interactions in CO2 Capture by Lysinate Anion and Role of Water Using Density Functional TheoryPrakash, Prabhat; VENKATNATHAN, ARUN; Dept. of Chemistry
Jul-2018Novel polyelectrolyte membranes for fuel and flow batteries: Insights from simulationsSengupta, Soumyadipta; Kritikos, Giorgos; Karatasos, Konstantinos; VENKATNATHAN, ARUN; PANT, RAKESH; Komarov, Pavel; Lyulin, Alexey V.; Dept. of Chemistry
Jul-2018Probing translational and rotational dynamics in hydrophilic/hydrophobic anion based imidazolium ionicKumar, Praveen; Prakash, Prabhat; RAMYA, K. R.; VENKATNATHAN, ARUN; Dept. of Chemistry
Oct-2018Nanostructure and Dynamics of Humidified Nafion/Graphene-Oxide Composites via Molecular Dynamics SimulationsKritikos, Georgios; Pant, Rakesh; Sengupta, Soumyadipta; Karatasos, Kostas; VENKATNATHAN, ARUN; Lyulin, Alexey V.; Dept. of Chemistry
Sep-2019Experimental and Theoretical Investigation of the Ion Conduction Mechanism of Tris(adiponitrile)perchloratosodium, a Self-Binding, Melt-Castable Crystalline Sodium ElectrolyteFall, Birane; PRAKASH, PRABHAT; Gau, Michael R.; Wunder, Stephanie L.; VENKATNATHAN, ARUN; Zdilla, Michael J.; Dept. of Chemistry
Jan-2020Charge delocalization effects on Nafion structure and water/proton dynamics in hydrated environmentsPANT, RAKESH; Sengupta, Soumyadipt; Lyulin, Alexey, V.; VENKATNATHAN, ARUN; Dept. of Chemistry
Sep-2020Computational investigation of a protic ionic liquid doped poly-benzimidazole fuel cell electrolytePANT, RAKESH; Sengupta, Soumyadipta; Lyulin, Alexey V.; VENKATNATHAN, ARUN; Dept. of Chemistry
Nov-2020Effect of Annealing on Structure and Diffusion in Hydrated Nafion MembranesLyulin, Alexey, V.; Sengupta, Soumyadipta; VARUGHESE, ANNA; Komarov, Pavel; VENKATNATHAN, ARUN; Dept. of Chemistry
Apr-2021Solvate sponge crystals of (DMF)3NaClO4: reversible pressure/temperature controlled juicing in a melt/press-castable sodium-ion conductorPRAKASH, PRABHAT; ARDHRA, SHYLENDRAN; Fall, Birane; Zdilla, Michael J.; Wunder, Stephanie L.; VENKATNATHAN, ARUN; Dept. of Chemistry
Dec-2021Invoking chemical principles to predict the anions of dihydrooxazole family as prospective carbon capture moietiesMUKHERJEE, UTTAMA; VENKATNATHAN, ARUN; Dept. of Chemistry
Dec-2021Multiscale Modeling Examples: New Polyelectrolyte Nanocomposite Membranes for Perspective Fuel Cells and Flow BatteriesSengupta, Soumyadipta; Lyulin, Alexey V.; Kritikos, Georgios; Karatasos, Konstantinos; VENKATNATHAN, ARUN; PANT, RAKESH; Komarov, Pavel V.; Ginzburg, Valeriy V.; Hall, Lisa M.; Dept. of Chemistry
Mar-2022Mechanism of Ion Conduction and Dynamics in Tris(N,N-dimethylformamide) Perchloratosodium Solid ElectrolytesPRAKASH, PRABHAT; SHYLENDRAN, ARDHRA; Fall, Birane; Zdilla, Michael J.; Wunder, Stephanie L.; VENKATNATHAN, ARUN; Dept. of Chemistry
Mar-2022Effect of Concentration and Temperature on the Structure and Ion Transport in Diglyme-Based Sodium-Ion ElectrolyteARDHRA, SHYLENDRAN; PRAKASH, PRABHAT; DEV, RABIN SIVA; VENKATNATHAN, ARUN; Dept. of Chemistry
Oct-2022Molecular-Dynamics Modeling of Nafion MembranesSengupta, Soumyadipta; PANT, RAKESH; VENKATNATHAN, ARUN; Lyulin, Alexey V.; Dept. of Chemistry
Apr-2023Theoretical Assessment of Carbon Dioxide Reactivity in Methylpiperidines: A Conformational InvestigationMUKHERJEE, UTTAMA; PRAKASH, PRABHAT; VENKATNATHAN, ARUN; Dept. of Chemistry
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