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Results 1-10 of 21 (Search time: 0.001 seconds).
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Issue DateTitleAuthor(s)
2015Substrate doping: A strategy for enhancing reactivity on gold nanocatalysts by tuning sp bandsMammen, Nisha; de Gironcoli, Stefano; Narasimhan, Shobhana
2015Graphene oxide as an optimal candidate material for methane storageChouhan, Rajiv K.; Ulman, Kanchan; Narasimhan, Shobhana
2015Unraveling the success and failure of mode coupling theory from consideration of entropyNandi, Manoj Kumar; Banerjee, Atreyee; Sengupta, Shiladitya; Sastry, Srikanth; Bhattacharyya, Sarika Maitra
2015Atomistic simulations of liquid-liquid coexistence in confinement: comparison of thermodynamics and kinetics with bulkDas, Subir K.
2015Photophysical properties of charge transfer pairs encapsulated inside macrocycle cage: A density functional theory studyBandyopadhyay, Arkamita; Pati, Swapan Kumar
2015Accuracy of Current All-Atom Force-Fields in Modeling Protein Disordered StatesPalazzesi, Ferruccio; Prakash, Meher K.; Bonomi, Massimiliano; Barducci, Alessandro
2015Free volume under shearMaiti, Moumita; Vinutha, H. A.; Sastry, Srikanth; Heussinger, Claus
2015Theoretical understanding of two-photon-induced fluorescence of isomorphic nucleoside analogsSamanta, Pralok K.; Pati, Swapan Kumar
2014Tuning spin transport properties and molecular magnetoresistance through contact geometryUlman, Kanchan; Narasimhan, Shobhana; Delin, Anna
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

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