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physics.chem-ph2007
A Conceptual DFT Approach Towards Developing New QSTR Models
P. K. Chattaraj, D. R. Roy, S. Giri +4
Quantitative-structure-toxicity-relationship (QSTR) models are developed for predicting the toxicity (pIGC50) of 252 aliphatic compounds on Tetrahymena pyriformis. The single param…
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…