Unifying Exchange Sensitivity in Transition-Metal Spin-State Ordering and Catalysis through Bond Valence Metrics

by Gani, Terry Zhi Hao, Kulik, Heather Janine
Published 2020

Understanding and Breaking Scaling Relations in Single-Site Catalysis: Methane to Methanol Conversion by Fe(IV)=O

by Gani, Terry Zhi Hao, Kulik, Heather Janine
Published 2019

Where Does the Density Localize? Convergent Behavior for Global Hybrids, Range Separation, and DFT+U

by Gani, Terry Zhi Hao, Kulik, Heather Janine
Published 2017

Computational Discovery of Hydrogen Bond Design Rules for Electrochemical Ion Separation

by Gani, Terry Zhi Hao, Ioannidis, Efthymios Ioannis, Kulik, Heather Janine
Published 2017

Leveraging Cheminformatics Strategies for Inorganic Discovery: Application to Redox Potential Design

by Janet, Jon Paul, Gani, Terry Zhi Hao, Steeves, Adam H., Ioannidis, Efthymios Ioannis, Kulik, Heather Janine
Published 2020