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Issue DateTitleAuthor(s)
2016Electrochemical Dealloying of PdCu3 Nanoparticles to Achieve Pt-like Activity for the Hydrogen Evolution ReactionJana, Rajkumar; Bhim, Anupam; Bothra, Pallavi; Pati, Swapan Kumar; Peter, Sebastian C.
2016Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densitiesBanerjee, Atreyee; Nandi, Manoj Kumar; Sastry, Srikanth; Bhattacharyya, Sarika Maitra
2015Accuracy of Current All-Atom Force-Fields in Modeling Protein Disordered StatesPalazzesi, Ferruccio; Prakash, Meher K.; Bonomi, Massimiliano; Barducci, Alessandro
2016Superior performance of borocarbonitrides, BxCyNz, as stable, low-cost metal-free electrocatalysts for the hydrogen evolution reactionChhetri, Manjeet; Maitra, Somak; Chakraborty, Himanshu; Waghmare, Umesh V.; Rao, C. N. R.
2016Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic pi-System: Structure-Property Correlations Through Nanoindentation and DFT CalculationsRoy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Prasad, S. Krishna; Maji, Tapas Kumar
2014Physical origins of weak H-2 binding on carbon nanostructures: Insight from ab initio studies of chemically functionalized graphene nanoribbonsUlman, Kanchan; Bhaumik, Debarati; Wood, Brandon C.; Narasimhan, Shobhana
2014Characterization of few-layer 1T-MoSe2 and its superior performance in the visible-light induced hydrogen evolution reactionGupta, Uttam; Naidu, B. S.; Maitra, Urmimala; Singh, Anjali; Shirodkar, Sharmila N.; Waghmare, Umesh V.; Rao, C. N. R.
2014Adsorption and splitting of H2S on 2D-ZnO1-xNy: first-principles analysisKouser, Summayya; Waghmare, Umesh V.; Tit, Nacir
2014Possible application of 2D-boron sheets as anode material in lithium ion battery: A DFT and AIMD studyBanerjee, Swastika; Periyasamy, Ganga; Pati, Swapan Kumar
2014Diffusivity anomaly in modified Stillinger-Weber liquidsSengupta, Shiladitya; Vasisht, Vishwas V.; Sastry, Srikanth

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