Items where Author is "Shetty, Sharan"

Shetty, Sharan ; Kulkarni, Bhakti S. ; Kanhere, Dilip G. ; Goursot, Annick ; Pal, Sourav (2008) A comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory Journal of Physical Chemistry B, 112 (9). pp. 2573-2579. ISSN 1089-5647

Shafai, Ghazal S. ; Shetty, Sharan ; Krishnamurty, Sailaja ; Shah, Vaishali ; Kanhere, D. G. (2007) Density functional investigation of the interaction of acetone with small gold clusters Journal of Chemical Physics, 126 (1). 014704_1-014704_8. ISSN 1674-0068

Shetty, Sharan ; Kar, Rahul ; Kanhere, Dilip G. ; Pal, Sourav (2006) Intercluster reactivity of metalloaromatic and antiaromatic compounds and their applications in molecular electronics: a theoretical investigation Journal of Physical Chemistry A, 110 (1). pp. 252-256. ISSN 1089-5639

Shetty, Sharan ; Pal, Sourav ; Kanhere, Dilip G. ; Goursot, Annick (2005) Structural, electronic, and bonding properties of zeolite Sn-beta: a periodic density functional theory study Chemistry: A European Journal, 12 (2). pp. 518-523. ISSN 0947-6539

Shetty, Sharan ; Kanhere, Dilip G. ; Pal, Sourav (2004) Metallo-antiaromatic Al₄Na₄ and Al₄Na₃^- compounds: a theoretical investigation Journal of Physical Chemistry A, 108 (4). pp. 628-631. ISSN 1089-5639

Shetty, Sharan ; Pal, Sourav ; Kanhere, D. G. (2003) A study of electronic and bonding properties of Sn doped Li_n clusters and aluminum based binary clusters through electron localization function Journal of Chemical Physics, 118 (16). 7288_1-7288_9. ISSN 1674-0068