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The Journal of Physical Chemistry. B|September 22, 2023
Advantages of Multidimensional Biasing in Accelerated Dynamics: Application to the Calculation of the Acid p<i>K</i><sub>a</sub> for Acetic AcidJiasen Guo, Alberto Albesa, Carlos WexlerPhysical Review Letters|May 23, 2006
Universality away from critical points in two-dimensional phase transitionsCintia M Lapilli, Peter Pfeifer, Carlos WexlerJournal of Molecular Modeling|June 23, 2010
Molecular simulations of intermediate and long alkanes adsorbed on graphite: tuning of non-bond interactionsLucyna Firlej, Bogdan Kuchta, Michael W Roth, et al.Langmuir : the ACS Journal of Surfaces and Colloids|March 28, 2020
Adsorption of Natural Gas Mixtures of Methane, Ethane, and Propane in Nanoporous Carbon: Fully Atomistic Numerical StudiesZachary Valleroy, Gonzalo Dos Santos, Todd Lombardi, et al.The Journal of Chemical Physics|November 10, 2009
Enhanced hydrogen adsorption in boron substituted carbon nanospacesL Firlej, Sz Roszak, B Kuchta, et al.ACS Omega|April 22, 2022
Adsorption-Induced Expansion of Graphene Oxide Frameworks with Covalently Bonded Benzene-1,4-diboronic Acid: Numerical StudiesTodd N Lombardi, Joseph C Schaeperkoetter, Alberto Albesa, et al.ACS Omega|January 5, 2026
Free Energy Landscapes and Metastability in Methane Adsorption within a Representative Metal-Organic FrameworkAnthony Dorhauer, Malgorzata Stankiewicz, Bartosz Mazur, et al.Langmuir : the ACS Journal of Surfaces and Colloids|March 8, 2008
Explicit hydrogen molecular dynamics simulations of hexane deposited onto graphite at various coveragesM J Connolly, M W Roth, Paul A Gray, et al.Journal of Molecular Modeling|July 27, 2024
Temperature dependence of the near infrared absorption spectrum of single-wall carbon nanotubes dispersed by sodium dodecyl sulfate in aqueous solution: experiments and molecular dynamics studyCorey Valleroy, Rosa d'Ambrosio, Christophe Blanc, et al.Langmuir : the ACS Journal of Surfaces and Colloids|October 3, 2008
Structural and phase properties of tetracosane (C24H50) monolayers adsorbed on graphite: an explicit hydrogen molecular dynamics studyL Firlej, B Kuchta, M W Roth, et al.Pageof 2