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19942022
most citedReversible Work Transiton State Theory: Application to Dissociative Adsorption of Hydrogen

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Showing 2013 · physics.chem-phShow all

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physics.chem-ph2013★ 51 cited

A Transferable H2O Interaction Potential Based on a Single Center Multipole Expansion: SCME

K. T. Wikfeldt, E. R. Batista, F. D. Vila +1

A transferable potential energy function for describing the interaction between water molecules is presented. The electrostatic interaction is described rigorously using a multipol…