Items where Author is "de Gironcoli, Stefano"

Article

Mammen, Nisha ; de Gironcoli, Stefano ; Narasimhan, Shobhana (2015) Substrate doping: A strategy for enhancing reactivity on gold nanocatalysts by tuning sp bands Journal of Chemical Physics, 143 (14). p. 144307. ISSN 0021-9606

Mammen, Nisha ; Narasimhan, Shobhana ; de Gironcoli, Stefano (2011) Tuning the Morphology of Gold Clusters by Substrate Doping Journal of the American Chemical Society, 133 (9). pp. 2801-2803. ISSN 0002-7863

Pushpa, Raghani ; Ghosh, Prasenjit ; Narasimhan, Shobhana ; de Gironcoli, Stefano (2009) Effective coordination as a predictor of adsorption energies: A model study of NO on Rh(100) and Rh/MgO(100) surfaces Physical Review B: Condensed Matter and Materials Physics, 79 (16). ISSN 1098-0121

Ghosh, Prasenjit ; Pushpa, Raghani ; de Gironcoli, Stefano ; Narasimhan, Shobhana (2009) Effective coordination number: A simple indicator of activation energies for NO dissociation on Rh(100) surfaces Physical Review B: Condensed Matter and Materials Physics, 80 (23). ISSN 1098-0121

Ghosh, Prasenjit ; Pushpa, Raghani ; de Gironcoli, Stefano ; Narasimhan, Shobhana (2008) Interplay between bonding and magnetism in the binding of NO to Rh clusters Journal of Chemical Physics, 128 (19). p. 194708. ISSN 0021-9606

Aravindh, Assa ; Arkundato, Artoto ; Barman, Sonali ; Baroni, Stefano ; Bhargava, B.L. ; Chandrakumar, K.R.S. ; Chen, Wei ; Cherian, Roby ; Corso, Andrea Dal ; Datta, Soumendu ; de Gironcoli, Stefano ; Dhayal, Suman S. ; Dixit, Alok Kumar ; Dutta, Sudipta ; D’yachkov, Pavel ; Floare, Calin Gabriel ; Ganguli, Nirmal ; Ganguly, Shreemoyee ; Gebauer, Ralph ; Ghosh, Saurabh ; Giannozzi, Paolo ; Govind, . ; Hatt, Alison J. ; Hembram, K.P.S.S. ; Imam, Mighfar ; Jayalakshmi, V. ; Jayanthi, C.S. ; Kelkar, Tuhina ; Anil Kumar, . ; Lee, Jun Hee ; Lee, Mal-Soon ; Lonappan, Dayana ; Mahadevan, Priya ; Mallajosyula, Sairam Swaroop ; Marathe, Madhura ; Marzari, Nicola ; Melot, Brent ; Miller, Nicholas ; Morrone, Joseph ; Nanavati, Sachin ; Nanayakkara, Asiri ; Nandi, Prithwish Kumar ; Narasimhan, Shobhana ; Natarajan, Bhaarati ; Parvin, Fahmida ; Paul, Sujata ; Pradhan, Kalpataru ; Praveena, G. ; Prasad, Dasari L.V.K. ; Poswal, Himanshu K. ; Pujari, Bhalchandra ; Pushpa, Raghani ; Reddy, K. Hari Krishna ; Saha, Srijan Kumar ; Sbraccia, Carlo ; Scandolo, Sandro ; Seal, Prasenjit ; Shafai, Ghazal S. ; Shanavas, K.V. ; Simrall, James O.H. ; Srirangarajan, Aarti ; Srivastava, Vipul ; Talati, Mina K. ; Tantirungrotechai, Yuthana ; Tarafder, Kartick ; Thomas, Tiju ; Uthayathasan, T. (2007) Si_xC_1−xO₂ alloys: A possible route to stabilize carbon-based silica-like solids? Solid State Communications, 144 (7-8). pp. 273-276. ISSN 0038-1098

Narasimhan, Shobhana ; de Gironcoli, Stefano (2002) Ab initiocalculation of the thermal properties of Cu: Performance of the LDA and GGA Physical Review B, 65 (6). ISSN 0163-1829