Items where Author is "Lee, Mal-Soon"

Lee, Mal-Soon ; Baletto, F. ; Kanhere, D. G. ; Scandolo, S. (2008) Far-infrared absorption of water clusters by first-principles molecular dynamics Journal of Chemical Physics, 128 (21). pp. 214506_1-214506_5. ISSN 1674-0068

Ghazi, Seyed Mohammad ; Lee, Mal-Soon ; Kanhere, D. G. (2008) The effects of electronic structure and charged state on thermodynamic properties: an ab initio molecular dynamics investigations on neutral and charged clusters of Na₃₉, Na₄₀, and Na₄₁ Journal of Chemical Physics, 128 (10). pp. 104701_1-104701_7. ISSN 1674-0068

Zorriasatein, Shahab ; Lee, Mal-Soon ; Kanhere, D. G. (2007) Electronic structures, equilibrium geometries, and finite-temperature properties of Na_n (n=39-55) from first principles Physical Review B, 76 (16). pp. 165414_1-165414_8. ISSN 0163-1829

Lee, Mal-Soon ; Kanhere, D. G. (2007) Effects of geometric and electronic structure on the finite temperature behavior of Na₅₈, Na₅₇, and Na₅₅ cluster Physical Review B, 75 (12). pp. 125427_1-125427_6. ISSN 0163-1829

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

Lee, Mal-Soon ; Gowtham, S. ; He, Haiying ; Lau, Kah-Chun ; Pan, Lin ; Kanhere, D. G. (2006) Geometry, electronic properties, and thermodynamics of pure and Al-doped Li clusters Physical Review B, 74 (24). pp. 245412_1-245412_6. ISSN 0163-1829

Lee, Mal-Soon ; Kanhere, D. G. ; Joshi, Kavita (2005) Ab initio density-functional study of the equilibrium geometries and the electronic properties of Li_10-nSn_n(n=0-10) clusters Physical Review A, 72 (1). pp. 015201_1-015201_4. ISSN 1050-2947

Lee, Mal-Soon ; Chacko, S. ; Kanhere, D. G. (2005) First-principles investigation of finite-temperature behavior in small sodium clusters Journal of Chemical Physics, 123 (16). pp. 164310_1-164310_7. ISSN 1674-0068