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Physical Chemistry Chemical Physics : PCCP|May 17, 2011
pKa prediction from an ab initio bond length: part 3--benzoic acids and anilinesA P Harding, P L A PopelierPhysical Chemistry Chemical Physics : PCCP|May 17, 2011
pKa prediction from an ab initio bond length: part 2--phenolsA P Harding, P L A PopelierJournal of Chemical Information and Modeling|July 28, 2009
pK(a) prediction from "Quantum Chemical Topology" descriptorsA P Harding, D C Wedge, P L A PopelierSAR and QSAR in Environmental Research|April 8, 2010
QSAR with quantum topological molecular similarity indices: toxicity of aromatic aldehydes to Tetrahymena pyriformisS Kar, A P Harding, K Roy, et al.Pageof 1