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The Journal of Physical Chemistry. A|July 12, 2011
Hybrid quantum mechanics/molecular mechanics-based molecular dynamics simulation of acid-catalyzed dehydration of polyols in liquid waterStavros Caratzoulas, Timothy Courtney, Dionisios G VlachosJournal of Chemical Information and Modeling|May 17, 2023
OpenMKM: An Open-Source C++ Multiscale Modeling Simulator for Homogeneous and Heterogeneous Catalytic ReactionsBharat Medasani, Sashank Kasiraju, Dionisios G VlachosNano Letters|August 20, 2010
What controls au nanoparticle dispersity during growth?Giannis Mpourmpakis, Stavros Caratzoulas, Dionisios G VlachosScientific Reports|July 14, 2021
Regularized machine learning on molecular graph model explains systematic error in DFT enthalpiesHimaghna Bhattacharjee, Nikolaos Anesiadis, Dionisios G VlachosCarbohydrate Research|January 29, 2013
Insights into the isomerization of xylose to xylulose and lyxose by a Lewis acid catalystVinit Choudhary, Stavros Caratzoulas, Dionisios G VlachosChemsuschem|September 6, 2013
On the Brønsted acid-catalyzed homogeneous hydrolysis of furansNima Nikbin, Stavros Caratzoulas, Dionisios G VlachosChemsuschem|May 28, 2015
Liquid-Phase Catalytic Transfer Hydrogenation of Furfural over Homogeneous Lewis Acid-Ru/C CatalystsParaskevi Panagiotopoulou, Nickolas Martin, Dionisios G VlachosBMC Bioinformatics|May 1, 2010
Adaptive coarse-grained Monte Carlo simulation of reaction and diffusion dynamics in heterogeneous plasma membranesStuart Collins, Michail Stamatakis, Dionisios G VlachosChemsuschem|August 29, 2018
Catalytic Hydrotreatment of Humins to Bio-Oil in Methanol over Supported Metal CatalystsZiwei Cheng, Basudeb Saha, Dionisios G VlachosPhysical Chemistry Chemical Physics : PCCP|October 7, 2016
Adsorption in zeolites using mechanically embedded ONIOM clustersRyan E Patet, Stavros Caratzoulas, Dionisios G VlachosPageof 28