Browsing by Subject "Hammett equation"

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Quantification and prediction of substituent effects in aromatic molecules and cation- Complexes using molecular electrostatic potential

Fareed Bhasha Sayyed Meerasaheb (Chemical Sciences and Technology Division, National Institute for Interdisciplinary Science and Technology(CSIR), Thiruvananthapuram., 2012)
Use of molecular electrostatic potential for quantitative assessment of inductive effect

Suresh, C H; Alexander, P; Vijayalakshmi, K P; Sajith, P K; Gadre, S R (Royal Society of Chemistry, 2008)

Density functional theory computations at the B3LYP/6-31G(d, p) level have been carried out for three types of model compounds, viz. (i) 4-substituted bicyclo[2.2.2] octane carboxylic acids, (ii) anions of 4-substituted ...

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