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DSpace at IIT Bombay >
Browsing by Subject ab initio calculations
Showing results 1 to 10 of 10
| Issue Date | Title | Author(s) | | 2004 | Energetics of galactose- and glucose-aromatic amino acid interactions: implications for binding in galactose-specific proteins | SUJATHA, MANNARGUDI S; SASIDHAR, YELLAMRAJU U; BALAJI, PETETY V |
| 2008 | Lower rim 1,3-di-amide-derivative of calix[4]arene possessing bis-[N-(2,2 '-dipyridylamide)} pendants: a dual fluorescence sensor for Zn2+ and Ni2+ | JOSEPH, R; RAMANUJAM, B; PAL, H; RAO, CP |
| 2009 | The making of ferromagnetic Fe doped ZnO nanoclusters | GANGULI, N; DASGUPTA, I; SANYAL, B |
| 2007 | Mn and Fe impurities in MgB2 | JIJI THOMAS JOSEPH, P; SINGH, PRABHAKAR P |
| 2007 | MP2/6-311++G(d,p) study on galactose–aromatic residue analog complexes in different position-orientations of the saccharide relative to aromatic residue | SUJATHA, MANNARGUDI S; SASIDHAR, YELLAMRAJU U; BALAJI, PETETY V |
| 2009 | On the Origin of Reversible Hydrogen Activation by Phosphine-Boranes | RAJEEV, R; SUNOJ, RB |
| 2009 | On the Relative Preference of Enamine/Iminium Pathways in an Organocatalytic Michael Addition Reaction | PATIL, MP; SUNOJ, RB |
| 2008 | Synthetic and theoretical investigations on the construction of oxanorbornenes by a Michael addition and intramolecular Diels-Alder furan reaction | DADWAL, MAMTA; KESHARWANI, MANOJ K; DANAYAK, VAISHALEE; GANGULY, BISHWAJIT; SHAIKH, MOBIN M; MURUGANANTHAM, RAJENDRAN; NAMBOOTHIRI, IRISHI NN |
| 2006 | A theoretical evaluation of the Michael-Acceptor ability of conjugated nitroalkenes | RAI, VISHAL; NAMBOOTHIRI, IRISHI NN |
| 2008 | Water Catalysis in the Morita-Baylis-Hillman Reaction: A Mechanistic Perspective | ROY, D; SUNOJ, RB |
Showing results 1 to 10 of 10
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