Prediction of the critical micelle concentration of nonionic surfactants by dissipative particle dynamics simulations A Vishnyakov, MT Lee, AV Neimark The journal of physical chemistry letters 4 (5), 797-802, 2013 | 184 | 2013 |
Calculations of critical micelle concentration by dissipative particle dynamics simulations: the role of chain rigidity MT Lee, A Vishnyakov, AV Neimark The Journal of Physical Chemistry B 117 (35), 10304-10310, 2013 | 108 | 2013 |
Modeling aggregation of ionic surfactants using a smeared charge approximation in dissipative particle dynamics simulations R Mao, MT Lee, A Vishnyakov, AV Neimark The Journal of Physical Chemistry B 119 (35), 11673-11683, 2015 | 89 | 2015 |
Coarse-grained model of nanoscale segregation, water diffusion, and proton transport in Nafion membranes A Vishnyakov, R Mao, MT Lee, AV Neimark The Journal of Chemical Physics 148, 024108, 2018 | 59 | 2018 |
Prediction of mixture vapor–liquid equilibrium from the combined use of Peng–Robinson equation of state and COSMO-SAC activity coefficient model through the Wong–Sandler mixing … MT Lee, ST Lin Fluid phase equilibria 254 (1), 28-34, 2007 | 55 | 2007 |
Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membrane MT Lee, A Vishnyakov, AV Neimark The Journal of chemical physics 144 (1), 014902, 2016 | 50 | 2016 |
Parametrization of chain molecules in dissipative particle dynamics MT Lee, R Mao, A Vishnyakov, AV Neimark The Journal of Physical Chemistry B 120 (22), 4980-4991, 2016 | 44 | 2016 |
Modeling proton dissociation and transfer using dissipative particle dynamics simulation MT Lee, A Vishnyakov, AV Neimark Journal of chemical theory and computation 11 (9), 4395-4403, 2015 | 43 | 2015 |
Exploring Side-Chain Designs for Enhanced Ion Conductivity of Anion-Exchange Membranes by Mesoscale Simulations MT Lee The Journal of Physical Chemistry C 123 (17), 10802-10815, 2019 | 39 | 2019 |
Designing Anion Exchange Membranes with Enhanced Hydroxide Ion Conductivity by Mesoscale Simulations MT Lee The Journal of Physical Chemistry C 124 (8), 4470-4482, 2020 | 38 | 2020 |
Solvation and chemical engineering thermodynamics ST Lin, CM Hsieh, MT Lee Journal of the Chinese Institute of Chemical Engineers 38 (5), 467-476, 2007 | 37 | 2007 |
Molecular modeling of organophosphorous agents and their aqueous solutions A Vishnyakov, GY Gor, MT Lee, AV Neimark The Journal of Physical Chemistry A 115 (20), 5201-5209, 2011 | 30 | 2011 |
Water Vacancy Driven Diffusion in Clathrate Hydrates: Molecular Dynamics Simulation Study H Lo, MT Lee, ST Lin The Journal of Physical Chemistry C 121 (15), 8280–8289, 2017 | 29 | 2017 |
Interactions of phosphororganic agents with water and components of polyelectrolyte membranes MT Lee, A Vishnyakov, GY Gor, AV Neimark The Journal of Physical Chemistry B 115 (46), 13617-13623, 2011 | 27 | 2011 |
Interactions of sarin with polyelectrolyte membranes: A molecular dynamics simulation study MT Lee, A Vishnyakov, GY Gor, AV Neimark The Journal of Physical Chemistry B 117 (1), 365-372, 2013 | 12 | 2013 |
Micellization of Rhamnolipid Biosurfactants and Their Applications in Oil Recovery: Insights from Mesoscale Simulations MT Lee The Journal of Physical Chemistry B 125 (34), 9895–9909, 2021 | 11 | 2021 |
Designing Highly Conductive Block Copolymer-Based Anion Exchange Membranes by Mesoscale Simulations MT Lee The Journal of Physical Chemistry B 125 (10), 2729-2740, 2021 | 11 | 2021 |
Rhamnolipid Biosurfactants for Oil Recovery: Salt Effects on the Structural Properties Investigated by Mesoscale Simulations IC Chen, MT Lee ACS omega 7 (7), 6223-6237, 2022 | 8 | 2022 |
Anion Exchange Membranes for Fuel Cells Based on Quaternized Polystyrene-b-poly(ethylene-co-butylene)-b-polystyrene Triblock Copolymers with Spacer-Sidechain Design QG Chen, MT Lee Polymers 14 (14), 2860, 2022 | 6 | 2022 |
A priori predictions of critical loci from the combined use of PRSV equation of state and the COSMO-SAC model through the MHV1 mixing rule YS Tai, MT Hsieh, MT Lee, DSH Wong, ST Lin Fluid Phase Equilibria 308 (1), 25-34, 2011 | 2 | 2011 |