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Inorganic Chemistry

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Theoretical and Computational Chemistry

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Konstantinos Vogiatzis

2 results in Authors: Konstantinos Vogiatzis

Theoretical and Computational Chemistry

Representation of Molecular Structures with Persistent Homology Leads to the Discovery of Molecular Groups with Enhanced CO2 Binding

Jacob Townsend, Cassie Putman Micucci, John H. Hymel, Vasileios Maroulas, Konstantinos Vogiatzis

Version 2 posted 14 May 2020

865

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Inorganic Chemistry

Ligand Field Effects on the Ground and Excited States of the Catalytically Active FeO2+ Species

Justin K. Kirkland, Shahriar N. Khan, Bryan Casale, Evangelos Miliordos, Konstantinos Vogiatzis

Version 1 posted 22 August 2018

755

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