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Inorganic Chemistry

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Materials Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Kevin Rosso

4 results in Authors: Kevin Rosso

Inorganic Chemistry

Iron Dissolution from Goethite (α-FeOOH) Surfaces in Water by Ab Initio Enhanced Free Energy Simulations

Konstantin Klyukin, Kevin Rosso, Vitaly Alexandrov

Version 1 posted 19 April 2018

825

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Inorganic Chemistry

Rethinking the Magnetic Properties of Lepidocrocite: A Density Functional Theory and Cluster Expansion Study

Daniel Pope, Aurora Clark, Micah Prange, Kevin Rosso

Version 1 posted 25 February 2020

584

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Theoretical and Computational Chemistry

Mechanisms of Dissolution from Gibbsite Step Edges Elucidated by Ab Initio Molecular Dynamics with Enhanced Sampling

Qing Guo, Maxime Pouvreau, Kevin Rosso, Aurora Clark

Version 1 posted 20 June 2023

143

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Theoretical and Computational Chemistry

Development and Application of Hybrid AIMD/cDFT Simulations for Atomic-to-Mesoscale Chemistry

Duo Song, Eric Bylaska, Maria Sushko, Kevin Rosso

Version 1 posted 25 September 2023

258

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