Efthymios I. Ioannidis

Publications

1. Leveraging Cheminformatics Strategies for Inorganic Discovery: Application to Redox Potential Design (2017)
2. Density functional theory for modelling large molecular adsorbate–surface interactions: a mini-review and worked example (2017)
3. Ligand-Field-Dependent Behavior of Meta-GGA Exchange in Transition-Metal Complex Spin-State Ordering (2017)
4. Computational Discovery of Hydrogen Bond Design Rules for Electrochemical Ion Separation (2016)
5. Computational Investigation of the Interplay of Substrate Positioning and Reactivity in Catechol O-Methyltransferase (2016)
6. Global and local curvature in density functional theory (2016)
7. molSimplify: A toolkit for automating discovery in inorganic chemistry (2016)
8. Towards quantifying the role of exact exchange in predictions of transition metal complex properties (2015)