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Van T. Nguyen, S. Johnathan Tan, D.D. Do & D. Nicholson. (2016) Application of kinetic Monte Carlo method to the vapour–liquid equilibria of associating fluids and their mixtures. Molecular Simulation 42:8, pages 642-654.
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G. R. Birkett & D. D. Do. (2006) Simulation study of ammonia adsorption on graphitized carbon black. Molecular Simulation 32:7, pages 523-537.
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Articles from other publishers (41)
Wenmao Zeng, Shiliang (Johnathan) Tan, Meng Liu, Dingchao Zhang, Lumeng Liu & D.D. Do. (2022) New Insights into the Capture of Low-level Gaseous Pollutants in Indoor Environment by Carbonaceous Materials: Effects of Functional Groups, Pore Size, and Presence of Moist. Separation and Purification Technology 298, pages 121652.
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Lumeng Liu, Shiliang (Johnathan) Tan & D. D. Do. 2021. Porous Materials. Porous Materials
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Dingchao Zhang, Junjie Liu & Lumeng Liu. (2020) On the capture of polar indoor air pollutants at sub-ppm level—A molecular simulation study. Building Simulation 13:5, pages 989-997.
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Chang‐Che Tsai & Shiang‐Tai Lin. (2020)
Integration of modern computational chemistry and
ASPEN PLUS
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Kasidi R. Na Nakorn, Woramate Lerdkamjornwat, Sorayot Chinkanjanarot, Poomiwat Phadungbut & Nikom Klomkliang. (2020) In silico analysis of argon adsorption and porous properties of Fe-soc-MOF pre-adsorbed with nonpolar and polar fluids. Microporous and Mesoporous Materials 303, pages 110266.
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Yonghong Zeng, Hui Xu, Toshihide Horikawa, D. D. Do & D. Nicholson. (2018) Henry Constant of Water Adsorption on Functionalized Graphite: Importance of the Potential Models of Water and Functional Group. The Journal of Physical Chemistry C 122:42, pages 24171-24181.
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Shiliang (Johnathan) Tan, D.D. Do & D. Nicholson. (2018) An efficient kinetic Monte Carlo scheme for computing Helmholtz free energy and entropy in bulk fluids and adsorption systems. Chemical Engineering Journal 334, pages 1410-1421.
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Yonghong Zeng, Hui Xu, D.D. Do & D. Nicholson. (2018) Adsorption of argon on graphitized carbon black preloaded with methanol, ammonia and water: The role of adsorption regions and adsorbates. Chemical Engineering Journal 334, pages 1316-1327.
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Luisa Prasetyo, D.D. Do & D. Nicholson. (2018) A coherent definition of Henry constant and isosteric heat at zero loading for adsorption in solids – An absolute accessible volume. Chemical Engineering Journal 334, pages 143-152.
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Muhammad Saleh & Thomas S. Hofer. (2018)
Square planar or octahedral after all? The indistinct solvation of platinum(
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I. Vyalov, Y. Vaksler, V. Koverga, F.A. Miannay, M. Kiselev & A. Idrissi. (2017) Solvation free energy of solvation of biomass model cellobiose molecule: A molecular dynamics analysis. Journal of Molecular Liquids 245, pages 97-102.
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Luisa Prasetyo, Mus’ab Abdul Razak, D.D. Do, Toshihide Horikawa, Kazuyuki Nakai & D. Nicholson. (2017) On the resolution of constant isosteric heat of propylene adsorption on graphite in the sub-monolayer coverage region. Colloids and Surfaces A: Physicochemical and Engineering Aspects 512, pages 101-110.
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Yonghong Zeng, D. D. Do, Toshihide Horikawa, D. Nicholson & Kazuyuki Nakai. (2016) On the explanation of hysteresis in the adsorption of ammonia on graphitized thermal carbon black. Physical Chemistry Chemical Physics 18:2, pages 1163-1171.
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Szilvia Pothoczki, László Temleitner & László Pusztai. (2015) Structure of Neat Liquids Consisting of (Perfect and Nearly) Tetrahedral Molecules. Chemical Reviews 115:24, pages 13308-13361.
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D.D. Do, S.L. Johnathan Tan, Yonghong Zeng, Chunyan Fan, Van T. Nguyen, Toshihide Horikawa & D. Nicholson. (2015) The interplay between molecular layering and clustering in adsorption of gases on graphitized thermal carbon black – Spill-over phenomenon and the important role of strong sites. Journal of Colloid and Interface Science 446, pages 98-113.
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Yonghong Zeng, D. D. Do & D. Nicholson. (2015) Existence of Ultrafine Crevices and Functional Groups along the Edge Surfaces of Graphitized Thermal Carbon Black. Langmuir 31:14, pages 4196-4204.
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Esam A. Orabi & Guillaume Lamoureux. (2013) Polarizable Interaction Model for Liquid, Supercritical, and Aqueous Ammonia. Journal of Chemical Theory and Computation 9:4, pages 2035-2051.
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Ho Yin Chan, Vladimir Lankevich, Peter G. Vekilov & Vassiliy Lubchenko. (2012) Anisotropy of the Coulomb Interaction between Folded Proteins: Consequences for Mesoscopic Aggregation of Lysozyme. Biophysical Journal 102:8, pages 1934-1943.
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Gabriela Guevara-Carrion, Jadran Vrabec & Hans Hasse. (2012) Prediction of Transport Properties of Liquid Ammonia and Its Binary Mixture with Methanol by Molecular Simulation. International Journal of Thermophysics 33:3, pages 449-468.
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Tim Schäfer, Alexander Kandratsenka, Peter Vöhringer, Jörg Schroeder & Dirk Schwarzer. (2012) Vibrational energy relaxation of the ND-stretching vibration of NH2D in liquid NH3. Physical Chemistry Chemical Physics 14:33, pages 11651.
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Stephan Deublein, Bernhard Eckl, Jürgen Stoll, Sergey V. Lishchuk, Gabriela Guevara-Carrion, Colin W. Glass, Thorsten Merker, Martin Bernreuther, Hans Hasse & Jadran Vrabec. (2011) ms2: A molecular simulation tool for thermodynamic properties. Computer Physics Communications 182:11, pages 2350-2367.
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I. Vyalov, M. Kiselev, T. Tassaing, J.C. Soetens, M. Federov, P. Damay & A. Idrissi. (2011) Reorientation relaxation in supercritical ammonia. Journal of Molecular Liquids 159:1, pages 31-37.
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Gabriela Guevara-Carrion, Hans Hasse & Jadran Vrabec. 2012. Multiscale Molecular Methods in Applied Chemistry. Multiscale Molecular Methods in Applied Chemistry
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Johannes Vorholz, Bernd Rumpf & Gerd Maurer. (2002) Prediction of the vapor–liquid phase equilibrium of hydrogen sulfide and the binary system water–hydrogen sulfide by molecular simulation. Phys. Chem. Chem. Phys. 4:18, pages 4449-4457.
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