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List of works by Peng Bai

Ab Initio Derived Force Fields for Predicting CO2 Adsorption and Accessibility of Metal Sites in the Metal–Organic Frameworks M-MOF-74 (M = Mn, Co, Ni, Cu)

article by Emmanuel Haldoupis et al published 6 July 2015 in Journal of Physical Chemistry C

Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations

scientific article published on September 2015

Adsorptive Nature of Surface Barriers in MFI Nanocrystals

scientific article published on 13 September 2019

Adsorptive Separation of 1-Butanol from Aqueous Solutions Using MFI- and FER-Type Zeolite Frameworks: A Monte Carlo Study

scientific article published on 27 January 2016

Assessment and Optimization of Configurational-Bias Monte Carlo Particle Swap Strategies for Simulations of Water in the Gibbs Ensemble

scientific article published on 21 December 2016

Computational Screening of Nanoporous Materials for Hexane and Heptane Isomer Separation

Effects of chloride ions in acid-catalyzed biomass dehydration reactions in polar aprotic solvents

article

Electrochemically Driven, Ni-Catalyzed Aryl Amination: Scope, Mechanism, and Applications

scientific article published on 02 April 2019

Multicomponent adsorption of alcohols onto silicalite-1 from aqueous solution: isotherms, structural analysis, and assessment of ideal adsorbed solution theory

scientific article published on 22 October 2012

Ultra-selective high-flux membranes from directly synthesized zeolite nanosheets

scientific article published on 15 March 2017

Understanding solvent effects on adsorption and protonation in porous catalysts

scientific article published on 26 February 2020

Understanding the unusual adsorption behavior in hierarchical zeolite nanosheets.

scientific article published on 18 May 2014

Water 26-mers Drawn from Bulk Simulations: Benchmark Binding Energies for Unprecedentedly Large Water Clusters and Assessment of the Electrostatically Embedded Three-Body and Pairwise Additive Approximations

article

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