Publications by authors named "Tim M Becker"

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OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order- n Algorithm in LAMMPS.
Seyed Hossein Jamali, Ludger Wolff, Tim M Becker, Mariëtte de Groen, Mahinder Ramdin

J Chem Inf Model· April 2019

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Potential of polarizable force fields for predicting the separation performance of small hydrocarbons in M-MOF-74.
Tim M Becker, Azahara Luna-Triguero, Jose Manuel Vicent-Luna, Li-Chiang Lin, David Dubbeldam

Phys Chem Chem Phys· November 2018

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Polarizable Force Field for CO in M-MOF-74 Derived from Quantum Mechanics.
Tim M Becker, Li-Chiang Lin, David Dubbeldam, Thijs J H Vlugt

J Phys Chem C Nanomater Interfaces· October 2018

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Finite-Size Effects of Binary Mutual Diffusion Coefficients from Molecular Dynamics.
Seyed Hossein Jamali, Ludger Wolff, Tim M Becker, André Bardow, Thijs J H Vlugt

J Chem Theory Comput· May 2018

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Absorption Refrigeration Cycles with Ammonia-Ionic Liquid Working Pairs Studied by Molecular Simulation.
Tim M Becker, Meng Wang, Abhishek Kabra, Seyed Hossein Jamali, Mahinder Ramdin

Ind Eng Chem Res· April 2018

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Thermodynamic and Transport Properties of Crown-Ethers: Force Field Development and Molecular Simulations.
Seyed Hossein Jamali, Mahinder Ramdin, Tim M Becker, Shwet Kumar Rinwa, Wim Buijs

J Phys Chem B· September 2017

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Polarizable Force Fields for CO and CH Adsorption in M-MOF-74.
Tim M Becker, Jurn Heinen, David Dubbeldam, Li-Chiang Lin, Thijs J H Vlugt

J Phys Chem C Nanomater Interfaces· March 2017

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