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Molecular Simulations of CO _2 /N _2 /H _2 O Gaseous Mixture Separation in Graphtriyne Membrane.

, , and . ICCSA (6), volume 11624 of Lecture Notes in Computer Science, page 374-387. Springer, (2019)

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Binary Classification of Proteins by a Machine Learning Approach., , , , and . ICCSA (7), volume 12255 of Lecture Notes in Computer Science, page 549-558. Springer, (2020)Modeling Combustions: The ab initio Treatment of the O( ^3 P) + CH _3 OH Reaction., , , , and . ICCSA (1), volume 9786 of Lecture Notes in Computer Science, page 71-83. Springer, (2016)A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers., , , , and . ICCSA (1), volume 7333 of Lecture Notes in Computer Science, page 387-400. Springer, (2012)Confinement of the Pentanitrogen Cation Inside Carbon Nanotubes., , , and . ICCSA (5), volume 10964 of Lecture Notes in Computer Science, page 579-592. Springer, (2018)The Molecular Stirrer Catalytic Effect in Methane Ice Formation., , , , , and . ICCSA (1), volume 8579 of Lecture Notes in Computer Science, page 585-600. Springer, (2014)Intermolecular Forces for the Interaction of H2O-Graphtriyne Membrane: Contribution of Induction Effects., , and . ICCSA (10), volume 12958 of Lecture Notes in Computer Science, page 426-438. Springer, (2021)Classification of Shapes and Deformations of Large Systems by Invariant Coordinates., and . ICCSA (7), volume 12255 of Lecture Notes in Computer Science, page 538-548. Springer, (2020)Grid Calculation Tools for Massive Applications of Collision Dynamics Simulations: Carbon Dioxide Energy Transfer., , and . ICCSA (1), volume 8579 of Lecture Notes in Computer Science, page 627-639. Springer, (2014)A Theoretical Investigation of 1-Butanol Unimolecular Decomposition., , , , , , and . ICCSA (2), volume 9156 of Lecture Notes in Computer Science, page 384-393. Springer, (2015)A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients., , , and . ICCSA (2), volume 5593 of Lecture Notes in Computer Science, page 93-103. Springer, (2009)