199 citations
3 papers
physics.chem-ph2007★ 199 cited
A Multiphilic Descriptor for Chemical Reactivity and Selectivity
J. Padmanabhan, R. Parthasarathi, M. Elango +6
In line with the local philicity concept proposed by Chattaraj et al. (Chattaraj, P. K.; Maiti, B.; Sarkar, U. J. Phys. Chem. A. 2003, 107, 4973) and a dual descriptor derived by T…
physics.chem-ph2006
Are Strong Bronsted Acids Necessarily Strong Lewis Acids?
K. Gupta, D. R. Roy, V. Subramanian +1
The Broensted and Lowry acid base theory is based on the capacity of proton donation or acceptance (in the presence or absence of a solvent) whereas the Lewis acid base theory is b…
cond-mat.soft2005★ 2 cited
Nucleophilicity/Electrophilicity Excess in Analyzing Molecular Electronics
D. R. Roy, V. Subramanian, P. K. Chattaraj
Intramolecular electron transfer capability of all metal aromatic and anti-aromatic aluminum cluster compounds is studied in terms of density functional theory based global and loc…