Search Results - "Agrawal, Naveen"

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations by Michaud-Agrawal, Naveen, Denning, Elizabeth J., Woolf, Thomas B., Beckstein, Oliver

“…MDAnalysis is an object‐oriented library for structural and temporal analysis of molecular dynamics (MD) simulation trajectories and individual protein…”
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Fabrication of Tungsten/n-CdSe/Pyrographite/Brass sandwiched electronic device and transport characterization for its resistive switching applications by Dhruv, S D, Sharko, Sergei A, Nowicki Andrzej, Solanki Pankaj, Solanki Vanaraj, Markna, J H, Kataria Bharat, Amin, B A, Patel, P B, Trivedi, U B, Agrawal Naveen, Dhruv, D K

“…Cadmium selenide (CdSe) is a semiconducting compound that belongs to the II-VI family (where II = Zn, Cd, or Hg and VI = S, Se, or Te). The programmed rotating…”
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How to lose a kink and gain a helix: pH independent conformational changes of the fusion domains from influenza hemagglutinin in heterogeneous lipid bilayers by Jang, Hyunbum, Michaud-Agrawal, Naveen, Johnston, Jennifer M., Woolf, Thomas B.

“…We have simulated two conformations of the fusion domain of influenza hemagglutinin (HA) within explicit water, salt, and heterogeneous lipid bilayers composed…”
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Multi-objective Optimization of the Operation of an Industrial Low-Density Polyethylene Tubular Reactor Using Genetic Algorithm and Its Jumping Gene Adaptations by Agrawal, Naveen, Rangaiah, G. P, Ray, Ajay K, Gupta, Santosh K

“…In this study, a comprehensive model for an industrial low-density polyethylene (LDPE) tubular reactor is presented. The model parameters are tuned using…”
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Climate responsive insulation strategies: a comparative analysis for enhanced energy conservation and reduced environmental footprint in Indian urban contexts by Shrimali, Ruchita, Agrawal, Naveen Kumar

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ATR-SEIRAS Investigation of the Electro-oxidation Mechanism of Biomass-Derived C 5 Furanics on Platinum Electrodes by Hasse, Joseph C., Agrawal, Naveen, Janik, Michael J., Holewinski, Adam

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Density functional theory study of furfural electrochemical oxidation on the Pt (1 1 1) surface by Gong, Li, Agrawal, Naveen, Roman, Alex, Holewinski, Adam, Janik, Michael J.

“…[Display omitted] •DFT is used to examine the electrooxidation mechanism of furfural on Pt(1 1 1).•Furoic acid is a stable oxidation product that is difficult…”
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An efficient approach to compartmentalize double layer effects on kinetics of interfacial proton-electron transfer reactions by Agrawal, Naveen, Wong, Andrew Jark-Wah, Maheshwari, Sharad, Janik, Michael J.

“…[Display omitted] •New approach calculates DFT potential dependent electrocatalytic activation barriers.•Analytical model delineates EDL effects on…”
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Sensitivity Analysis of Electrochemical Double Layer Approximations on Electrokinetic Predictions: Case Study for CO Reduction on Copper by Wong, Andrew Jark-Wah, Tran, Bolton, Agrawal, Naveen, Goldsmith, Bryan R., Janik, Michael J.

“…Density functional theory (DFT) modeling has been useful to electrocatalyst research, yet simulating the complexities of the electrode–electrolyte interface…”
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Electro-oxidation of furfural on gold is limited by furoate self-assembly by Román, Alex M., Agrawal, Naveen, Hasse, Joseph C., Janik, Michael J., Medlin, J. Will, Holewinski, Adam

“…The primary product of furfural electro-oxidation on Au electrodes is furoic acid, which can undergo facile oxidation to surface bound furoate. As this…”
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Energy and cost analysis of composite-insulated rooftops for sustainable buildings in Indian climatic conditions by Shrimali, Ruchita, Agrawal, Naveen Kumar, Agrawal, Kamal Kumar

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Correlating hydration free energy and specific adsorption of alkali metal cations during CO2 electroreduction on Au by Ovalle, Vincent J., Hsu, Yu-Shen, Agrawal, Naveen, Janik, Michael J., Waegele, Matthias M.

“…Specifically adsorbed alkali metal cations on metal electrodes have been hypothesized to influence the reduction of CO 2 . However, experimental detection of…”
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Sustained release formulations of citronella oil nanoemulsion using cavitational techniques by Agrawal, Naveen, Maddikeri, Ganesh L., Pandit, Aniruddha B.

“…•Effect of physicochemical parameters on cavitation assisted synthesis of citronella oil emulsion.•Improved stability of emulsion prepared with cavitation in…”
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Electrical transport and magnetic properties of semiconducting In0.95Co0.05Sb thin film by Agrawal, Naveen, Sarkar, Mitesh, Dhruv, D. K., Nagar, Prakhar

“…The electrical and magnetic properties of thermally evaporated In 0.95 Co 0.05 Sb thin film are studied in detail. The X-ray diffraction analysis indicated a…”
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Concentration dependent effect on structure, hyperfine field in Fe doped InSb bulk alloy by Agrawal, Naveen, Nagar, Prakhar, Sarkar, Mitesh, Dhruv, D.K.

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Electrical and magnetotransport properties of In0.95Mn0.05Sb film by Agrawal, Naveen, Sarkar, Mitesh, Dhruv, D.K.

“…The In0.95Mn0.05Sb film has been obtained on a Silicon substrate using a thermally evaporated technique. The structural, electrical, magnetotransport and…”
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Insight into the Oxidation Mechanism of Furanic Compounds on Pt(111) by Mark, Lesli O, Agrawal, Naveen, Román, Alex M, Holewinski, Adam, Janik, Michael J, Medlin, J. Will

“…Partial oxidation of multifunctional oxygenates is of interest for the production of high-value chemicals, but the understanding of the mechanism on Pt…”
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Carrier induced magnetism in dilute Fe doped Ge1−xSbx thin films by Agrawal, Naveen, Sarkar, Mitesh, Chawda, Mukesh, Ganesan, V.

“…Thin films of Fe0.01Ge1−xSbx (x = 0.01, 0.05, 0.10) alloys were prepared by thermal evaporation technique. Characterization of these thin films was done using…”
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Performance enhancement of solar air heater by attaching artificial rib roughness on the absorber Plate by Yadav, Anil Singh, Gupta, Shaman, Agrawal, Abhay, Saxena, Rajiv, Agrawal, Naveen, Nashine, Sachi

“…Despite the limitations of conventional energy sources, the current energy scenario is still biased towards the use of these resources. Solar energy is…”
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Hyperfine interactions in dilute Se doped Fe x Sb 1 − x bulk alloy by Sarkar, Mitesh, Agrawal, Naveen, Chawda, Mukesh

“…Hyperfine Interaction technique like Mossbauer spectroscopy is a very sensitive tool to study the local probe interactions in Iron doped alloys and compounds…”
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