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Issue Date
Title
Author(s)
Dec-2021
Invoking chemical principles to predict the anions of dihydrooxazole family as prospective carbon capture moieties
MUKHERJEE, UTTAMA
;
VENKATNATHAN, ARUN
;
Dept. of Chemistry
Mar-2022
Mechanism of Ion Conduction and Dynamics in Tris(N,N-dimethylformamide) Perchloratosodium Solid Electrolytes
PRAKASH, PRABHAT
;
SHYLENDRAN, ARDHRA
;
Fall, Birane
;
Zdilla, Michael J.
;
Wunder, Stephanie L.
;
VENKATNATHAN, ARUN
;
Dept. of Chemistry
Mar-2022
Effect of Concentration and Temperature on the Structure and Ion Transport in Diglyme-Based Sodium-Ion Electrolyte
ARDHRA, SHYLENDRAN
;
PRAKASH, PRABHAT
;
DEV, RABIN SIVA
;
VENKATNATHAN, ARUN
;
Dept. of Chemistry
Dec-2021
Multiscale Modeling Examples: New Polyelectrolyte Nanocomposite Membranes for Perspective Fuel Cells and Flow Batteries
Sengupta, Soumyadipta
;
Lyulin, Alexey V.
;
Kritikos, Georgios
;
Karatasos, Konstantinos
;
VENKATNATHAN, ARUN
;
PANT, RAKESH
;
Komarov, Pavel V.
;
Ginzburg, Valeriy V.
;
Hall, Lisa M.
;
Dept. of Chemistry
May-2012
Raman spectra of vibrational and librational modes in methane clathrate hydrates using density functional theory
RAMYA, K. R.
;
KUMAR, G. V. PAVAN
;
VENKATNATHAN, ARUN
;
Dept. of Physics
Jul-2018
Novel polyelectrolyte membranes for fuel and flow batteries: Insights from simulations
Sengupta, Soumyadipta
;
Kritikos, Giorgos
;
Karatasos, Konstantinos
;
VENKATNATHAN, ARUN
;
PANT, RAKESH
;
Komarov, Pavel
;
Lyulin, Alexey V.
;
Dept. of Chemistry
May-2012
Molecular Dynamics Simulation of Phosphoric Acid Doped Monomer of Polybenzimidazole: A Potential Component Polymer Electrolyte Membrane of Fuel Cell
Pahari, Swagata
;
Choudhury, Chandan Kumar
;
Pandey, Prithvi Raj
;
More, Minal
;
VENKATNATHAN, ARUN
;
Roy, Sudip
;
Dept. of Chemistry
Jun-2012
Stability and Reactivity of Methane Clathrate Hydrates: Insights from Density Functional Theory
RAMYA, K. R.
;
VENKATNATHAN, ARUN
;
Dept. of Chemistry
Oct-2018
Nanostructure and Dynamics of Humidified Nafion/Graphene-Oxide Composites via Molecular Dynamics Simulations
Kritikos, Georgios
;
Pant, Rakesh
;
Sengupta, Soumyadipta
;
Karatasos, Kostas
;
VENKATNATHAN, ARUN
;
Lyulin, Alexey V.
;
Dept. of Chemistry
Aug-2012
Atomistic simulations of structure and dynamics of hydrated Aciplex polymer electrolyte membrane
Sunda, Anurag Prakash
;
VENKATNATHAN, ARUN
;
Dept. of Chemistry
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9
RAMYA, K. R.
7
Sengupta, Soumyadipta
7
Sunda, Anurag Prakash
5
Lyulin, Alexey V.
5
PANT, RAKESH
5
PRAKASH, PRABHAT
4
More, Minal
3
Fall, Birane
3
Komarov, Pavel
3
Kumar, Milan
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Chemistry
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Molecular dynamics
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2020
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Density Functional Theory
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2010 - 2019