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Multiphilic descriptor for chemical reactivity and selectivity.
Padmanabhan J, Parthasarathi R, Elango M, Subramanian V, Krishnamoorthy BS, Gutierrez-Oliva S, Toro-Labbé A, Roy DR, Chattaraj PK. Padmanabhan J, et al. Among authors: elango m. J Phys Chem A. 2007 Sep 20;111(37):9130-8. doi: 10.1021/jp0718909. Epub 2007 Aug 23. J Phys Chem A. 2007. PMID: 17715901
Bonding, aromaticity, and structure of trigonal dianion metal clusters.
Giri S, Roy DR, Duley S, Chakraborty A, Parthasarathi R, Elango M, Vijayaraj R, Subramanian V, Islas R, Merino G, Chattaraj PK. Giri S, et al. Among authors: elango m. J Comput Chem. 2010 Jul 15;31(9):1815-21. doi: 10.1002/jcc.21452. J Comput Chem. 2010. PMID: 19921693
pKa prediction using group philicity.
Parthasarathi R, Padmanabhan J, Elango M, Chitra K, Subramanian V, Chattaraj PK. Parthasarathi R, et al. Among authors: elango m. J Phys Chem A. 2006 May 25;110(20):6540-4. doi: 10.1021/jp055849m. J Phys Chem A. 2006. PMID: 16706412
Density functional theory studies on ice nanotubes.
Kumar RM, Elango M, Parthasarathi R, Subramanian V. Kumar RM, et al. Among authors: elango m. J Phys Chem A. 2011 Nov 17;115(45):12841-51. doi: 10.1021/jp203984z. Epub 2011 Aug 11. J Phys Chem A. 2011. PMID: 21834512
38 results