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A Theoretical Study on trans-Resveratrol - Cu(I) Complex.

, , , , , , , , , and . ICCSA (Workshops 6), volume 13382 of Lecture Notes in Computer Science, page 237-248. Springer, (2022)

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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)An extension of the grid empowered molecular simulator to quantum reactive scattering., , , and . J. Comput. Chem., 33 (6): 708-714 (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)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)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)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)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)A Theoretical Investigation of 1-Butanol Unimolecular Decomposition., , , , , , and . ICCSA (2), volume 9156 of Lecture Notes in Computer Science, page 384-393. Springer, (2015)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)