Aida Mariana Rebollar‐Zepeda

Empirically Fitted Parameters for Calculating p<i>K</i>_a Values with Small Deviations from Experiments Using a Simple Computational Strategy

Annia Galano, Adriana Pérez‐González, Romina Castañeda‐Arriaga et al. · Journal of Chemical Information and Modeling · 2016 · 147 citations

Natural Sciences, Biochemistry, Chemistry +12

Searching for Computational Strategies to Accurately Predict p<i>K</i>_as of Large Phenolic Derivatives

Aida Mariana Rebollar‐Zepeda, Tania Campos-Hernández, Alberto Rojas-Hernándéz et al. · Journal of Chemical Theory and Computation · 2011 · 72 citations

Natural Sciences, Chemistry, Physics +16

Reactivity Indexes and O-H Bond Dissociation Energies of a Large Series of Polyphenols: Implications for their Free Radical Scavenging Activity

Adriana Pérez‐González, Aida Mariana Rebollar‐Zepeda, Jorge Rafael León‐Carmona et al. · Journal of the Mexican Chemical Society · 2017 · 51 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15

First principles calculations of p<i>K</i>_a values of amines in aqueous solution: Application to neurotransmitters

Aida Mariana Rebollar‐Zepeda, Annia Galano · International Journal of Quantum Chemistry · 2012 · 43 citations

Natural Sciences, Biochemistry, Chemistry +17

Quantum mechanical based approaches for predicting pK_avalues of carboxylic acids: evaluating the performance of different strategies

Aida Mariana Rebollar‐Zepeda, Annia Galano · RSC Advances · 2016 · 23 citations

Natural Sciences, Chemistry, Physics +13