Terry Z. H. Gani

Publications

1. Understanding and Breaking Scaling Relations in Single-Site Catalysis: Methane to Methanol Conversion by FeIV═O (2018)
2. Unifying Exchange Sensitivity in Transition-Metal Spin-State Ordering and Catalysis through Bond Valence Metrics (2017)
3. Leveraging Cheminformatics Strategies for Inorganic Discovery: Application to Redox Potential Design (2017)
4. Where Does the Density Localize? Convergent Behavior for Global Hybrids, Range Separation, and DFT+U (2016)
5. Computational Discovery of Hydrogen Bond Design Rules for Electrochemical Ion Separation (2016)
6. molSimplify: A toolkit for automating discovery in inorganic chemistry (2016)