Juan Andrés
Orcid: 0000-0003-0232-3957
According to our database1,
Juan Andrés
authored at least 10 papers
between 1999 and 2019.
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Bibliography
2019
2018
Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase.
J. Comput. Aided Mol. Des., 2018
2017
Binding Analysis of Some Classical Acetylcholinesterase Inhibitors: Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM/MM MD Simulations.
J. Chem. Inf. Model., 2017
2013
New insight into the electronic structure of iron(IV)-oxo porphyrin compound I. A quantum chemical topological analysis.
J. Comput. Chem., 2013
2012
Electronic fluxes during diels-alder reactions involving 1, 2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory.
J. Comput. Chem., 2012
Nature of the ring-closure process along the rearrangement of octa-1, 3, 5, 7-tetraene to cycloocta-1, 3, 5-triene from the perspective of the electron localization function and catastrophe theory.
J. Comput. Chem., 2012
2010
Density functional theory study of the oxidation of methanol to formaldehyde on a hydrated vanadia cluster.
J. Comput. Chem., 2010
2007
New insights on the bridge carbon-carbon bond in propellanes: A theoretical study based on the analysis of the electron localization function.
J. Comput. Chem., 2007
2005
A joint study based on the electron localization function and catastrophe theory of the chameleonic and centauric models for the Cope rearrangement of 1, 5-hexadiene and its cyano derivatives.
J. Comput. Chem., 2005
1999
J. Comput. Chem., 1999