Publicaciones (13) Publicaciones de ALECHANIA MISTURINI MORELLI

2023

  1. Analysis of gallium phosphide nanoindentation by means of molecular dynamics simulations

    European Society for Precision Engineering and Nanotechnology, Conference Proceedings - 23rd International Conference and Exhibition, EUSPEN 2023

  2. Computer Generation of Hypothetical Zeolites

    AI-Guided Design and Property Prediction for Zeolites and Nanoporous Materials (wiley), pp. 145-172

  3. Drug screening of α-amylase inhibitors as candidates for treating diabetes

    Journal of Cellular and Molecular Medicine, Vol. 27, Núm. 15, pp. 2249-2260

  4. Effect of Intracrystalline Silanol Defects on the Diffusivity of Benzene in Silicalite Zeolite

    Chemie-Ingenieur-Technik, Vol. 95, Núm. 11, pp. 1768-1776

2022

  1. Molecular Simulation of Biobutanol Recovery Using LTA and CHA Zeolite Nanosheets with an External Surface

    Journal of Physical Chemistry C, Vol. 126, Núm. 41, pp. 17680-17691

2021

  1. Probing the potential of ureasil-poly(ethylene oxide) as a glyphosate scavenger in aqueous milieu: Force-field parameterization and MD simulations

    New Journal of Chemistry, Vol. 45, Núm. 42, pp. 19831-19841

  2. Separation of an aqueous mixture of 6-kestose/sucrose with zeolites: A molecular dynamics simulation

    Microporous and Mesoporous Materials, Vol. 319

2020

  1. Insights into Adsorption of Linear, Monobranched, and Dibranched Alkanes on Pure Silica STW Zeolite as a Promising Material for Their Separation

    Journal of Physical Chemistry C, Vol. 124, Núm. 49, pp. 26821-26829

  2. Sequential pore wall functionalization in covalent organic frameworks and application to stable camptothecin delivery systems

    Materials Science and Engineering C, Vol. 117

2019

  1. Shedding light on the electronic structure of [Ru(η 6 -C 16 H 16 )(NH 3 ) 3 ] 2+ complex: a computational insight

    Journal of Molecular Modeling, Vol. 25, Núm. 1

  2. ESI-QTof-MS characterization of hirsutinolide and glaucolide sesquiterpene lactones: Fragmentation mechanisms and differentiation based on Na+/H+ adducts interactions in complex mixture

    Journal of Mass Spectrometry, Vol. 54, Núm. 11, pp. 915-932

  3. Tracking the absence of anion-π interactions in modified [23](1,3,5)cyclophanes: Insights from computation

    New Journal of Chemistry, Vol. 43, Núm. 33, pp. 13271-13281

2017

  1. Metal-Ligand Bonding Situation in Ruthenophanes Containing Multibridged Cyclophanes

    Organometallics, Vol. 36, Núm. 18, pp. 3465-3470