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Issue DateTitleAuthor(s)
2005Ab initio quantum chemical investigation of intramolecular magnetic interaction in some diradical derivatives of imino nitroxide and nitronyl nitroxideALI, ME; VYAS, S; DATTA, SN
2004Ab initio quantum chemical investigation of the spin states of some fused ring systemsDATTA, SN; JHA, PP; ALI, ME
2006Broken-symmetry density functional theory investigation on bis-nitronyl nitroxide diradicals: Influence of length and aromaticity of couplersALI, ME; DATTA, SN
2006Density functional theory prediction of enhanced photomagnetic properties of nitronyl nitroxide and imino nitroxide diradicals with substituded dihydropyrene couplersALI, ME; DATTA, SN
2009Influence of Solute-Solvent Hydrogen Bonding on Intramolecular Magnetic Exchange Interaction in Aminoxyl Diradicals: A QM/MM Broken-Symmetry DFT StudyALI, ME; OPPENEER, PM; DATTA, SN
2007Molecular tailoring and prediction of strongly ferromagnetically coupled trimethylenemethane-based nitroxide diradicalsALI, ME; ROY, AS; DATTA, SN
2006Polyacene spacers in intramolecular magnetic couplingALI, ME; DATTA, SN
2005Theoretical investigation of intramolecular magnetic interaction through an ethylenic couplerVYAS, S; ALI, ME; HOSSAIN, E; PATWARDHAN, S; DATTA, SN
2006Theoretical investigation of magnetic properties of a dinuclear copper complex [Cu-2(mu-OAc)(4)(MeNHph)(2)]ALI, ME; DATTA, SN
Showing results 1 to 9 of 9


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