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A Grid Empowered Virtual Versus Real Experiment for the Barrierless Li + FH → LiF + H Reaction.

, and . ICCSA (1), volume 8579 of Lecture Notes in Computer Science, page 571-584. Springer, (2014)

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An extension of the grid empowered molecular simulator to quantum reactive scattering., , , and . Journal of Computational Chemistry, 33 (6): 708-714 (2012)A study of the impact of long range interactions on the reactivity of N + N2 using the Grid Empowered Molecular Simulator GEMS., , , and . IJWGS, 6 (2): 196-212 (2010)GriF: A Grid framework for a Web Service approach to reactive scattering., , and . Comput. Phys. Commun., 181 (7): 1179-1185 (2010)A Grid Empowered Virtual Versus Real Experiment for the Barrierless Li + FH → LiF + H Reaction., and . ICCSA (1), volume 8579 of Lecture Notes in Computer Science, page 571-584. Springer, (2014)A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations., , , , and . ICCSA (6), volume 11624 of Lecture Notes in Computer Science, page 401-412. Springer, (2019)A Comparison of the Isotope Effect for the N + N2 Reaction Calculated on Two Potential Energy Surfaces., , , and . ICCSA (1), volume 5072 of Lecture Notes in Computer Science, page 1081-1093. Springer, (2008)Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model., , , , , , , , , and 8 other author(s). Journal of Computational Chemistry, 35 (8): 611-621 (2014)Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality., , , , and . Journal of Computational Chemistry, 39 (31): 2607-2617 (2018)COMPCHEM: Progress Towards GEMS a Grid Empowered Molecular Simulator and Beyond., , , , , and . J. Grid Comput., 8 (4): 571-586 (2010)Machine Learning of Potential-Energy Surfaces Within a Bond-Order Sampling Scheme., , and . ICCSA (6), volume 11624 of Lecture Notes in Computer Science, page 388-400. Springer, (2019)