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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: chattaraj pk. 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
Careful scrutiny of the philicity concept.
Roy DR, Parthasarathi R, Padmanabhan J, Sarkar U, Subramanian V, Chattaraj PK. Roy DR, et al. Among authors: chattaraj pk. J Phys Chem A. 2006 Jan 26;110(3):1084-93. doi: 10.1021/jp053641v. J Phys Chem A. 2006. PMID: 16420012
pKa prediction using group philicity.
Parthasarathi R, Padmanabhan J, Elango M, Chitra K, Subramanian V, Chattaraj PK. Parthasarathi R, et al. Among authors: chattaraj pk. J Phys Chem A. 2006 May 25;110(20):6540-4. doi: 10.1021/jp055849m. J Phys Chem A. 2006. PMID: 16706412
Analyzing toxicity through electrophilicity.
Roy DR, Sarkar U, Chattaraj PK, Mitra A, Padmanabhan J, Parthasarathi R, Subramanian V, Van Damme S, Bultinck P. Roy DR, et al. Among authors: chattaraj pk. Mol Divers. 2006 May;10(2):119-31. doi: 10.1007/s11030-005-9009-x. Epub 2006 Jun 9. Mol Divers. 2006. PMID: 16763875
173 results