Browsing by Author Narasimhan, Shobhana

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Issue DateTitleAuthor(s)
2011-07-21Electronic properties of Fe clusters on a Au(111) surfaceDelga, Alexandre; Lagoute, Jerome; Repain, Vincent; Chacon, Cyril; Girard, Yann; Marathe, Madhura; Narasimhan, Shobhana; Rousset, Sylvie
2014Enhanced Gas Adsorption on Graphitic Substrates via Defects and Local Curvature: A Density Functional Theory StudyDutta, Debosruti; Wood, Brandon C.; Bhide, Shreyas Y.; Ayappa, K. Ganapathy; Narasimhan, Shobhana
2003-01Exchange-correlation errors at harmonic and anharmonic orders: the case of bulk CuNarasimhan, Shobhana; De Gironcoli, Stefano
2003-01Exchange–correlation errors at harmonic and anharmonic orders: the case of bulk CuPushpa, Raghani; Narasimhan, Shobhana
2015First principles investigations of nanomaterials for electronic, spintronic and gas storage applicationsNarasimhan, Shobhana; Ulman, Kanchan
1994First Principles Pseudopotential Calculations on Aluminum and Aluminum AlloysDavenport, J W; Chetty, N; Marr, R B; Narasimhan, Shobhana; Pasciak, J E; Peierls, R F; Weinert, M
2016First principles studies of adsorption, diffusion and reactivity of nanoclusters on surfacesNarasimhan, Shobhana; Mammen, Nisha
2020First principles studies of materials for energy applicationsNarasimhan, Shobhana; Acharya, Debdipto
2019Frist principles design of nanomaterials : tuning electronic, magnetic, chemical and topological propertiesNarasimhan, Shobhana; Banerjee, Rajdeep
2015Graphene oxide as an optimal candidate material for methane storageChouhan, Rajiv K.; Ulman, Kanchan; Narasimhan, Shobhana
2014India: shed the bad science imageNarasimhan, Shobhana
2008-05-12Interplay between bonding and magnetism in the binding of NO to Rh clustersGhosh, Prasenjit; Pushpa, Raghani; de Gironcoli, Stefano; Narasimhan, Shobhana
2008-05-12Interplay between bonding and magnetism in the binding of NO to Rh clustersGhosh, Prasenjit; Pushpa, Raghani; de Gironcoli, Stefano; Narasimhan, Shobhana
2007-06-28Lifting of Ir{100} reconstruction by CO adsorption: An ab initio studyGhosh, Prasenjit; Narasimhan, Shobhana; Jenkins, Stephen J; King, David A
2007-06-28Lifting of Irˆ100‰ reconstruction by CO adsorption: An ab initio studyGhosh, Prasenjit; Narasimhan, Shobhana; Jenkins, Stephen J; King, David A
2009-10-30Mixing and magnetic properties of surface alloys: The role of the substrateMarathe, Madhura; Imam, Mighfar; Narasimhan, Shobhana
1997A model for the thermal expansion of Ag(111) and other metal surfacesNarasimhan, Shobhana; Scheffler, Matthais
2009Modelling and Simulations of Structures and Structural TransitionsNarasimhan, Shobhana; Waghmare, Umesh V.; Paul, Jaita
1985-06-12Multipolar polarizabilities and Rydberg statesKrishnagopal, S; Narasimhan, Shobhana; Patil, S H
1985-06-12Multipolar polarizabilities and Rydberg statesKrishnagopal, S; Narasimhan, Shobhana; Patil, S H