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Physical Chemistry Chemical Physics : PCCP|March 11, 2020
Hierarchical phenomena in multicomponent liquids: simulation methods, analysis, chemistryMichael J Servis, Ernesto Martinez-Baez, Aurora E Clark
Physical Chemistry Chemical Physics : PCCP|April 19, 2017
Network analysis and percolation transition in hydrogen bonded clusters: nitric acid and water extracted by tributyl phosphateMichael J Servis, David T Wu, Jenifer C Braley
Journal of Chemical Information and Modeling|May 29, 2026
KBKit: A Python Toolkit for Kirkwood-Buff Theory from Molecular DynamicsAllison A Peroutka, G Brian Stephenson, Michael J Servis
Chemical Science|May 21, 2026
From molecular to macroscopic: predicting liquid-liquid phase equilibria and small-angle scattering of mixtures of organic liquids from atomistic simulation using Kirkwood-Buff theoryAllison A Peroutka, G Brian Stephenson, Michael J Servis
Physical Chemistry Chemical Physics : PCCP|April 20, 2021
Molecular-scale origins of solution nanostructure and excess thermodynamic properties in a water/amphiphile mixtureMichael J Servis, Marek Piechowicz, S Skanthakumar, et al.
The Journal of Physical Chemistry Letters|June 2, 2022
Thiocyanate Ions Form Antiparallel Populations at the Concentrated Electrolyte/Charged Surfactant InterfaceRaju R Kumal, Pubudu N Wimalasiri, Michael J Servis, et al.
The Journal of Physical Chemistry. B|March 20, 2024
Speciation and Organic Phase Structure in Nitric Acid Extraction with TrioctylamineSrikanth Nayak, Michael J Servis, Derrick Combs, et al.
Inorganic Chemistry|May 20, 2024
Influence of Aqueous Phase Acidity on Ln(III) Coordination by N,N,N',N'-TetraoctyldiglycolamideAllison A Peroutka, Xiaoyu Wang, Michael J Servis, et al.
Physical Chemistry Chemical Physics : PCCP|December 4, 2023
Solvent effects on extractant conformational energetics in liquid-liquid extraction: a simulation study of molecular solvents and ionic liquidsXiaoyu Wang, Srikanth Nayak, Richard E Wilson, et al.
The Journal of Physical Chemistry. B|February 18, 2016
A Molecular Dynamics Study of Tributyl Phosphate and Diamyl Amyl Phosphonate Self-Aggregation in Dodecane and OctaneMichael J Servis, Caleb A Tormey, David T Wu, et al.
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