Samuel J. Stoneburner
Point Loma Nazarene University(US)
Publications by Year
Research Areas
Metal-Organic Frameworks: Synthesis and Applications, Advanced Chemical Physics Studies, Magnetism in coordination complexes, Machine Learning in Materials Science, Catalytic Processes in Materials Science
Most-Cited Works
- → Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N2 and CH4(2013)178 cited
- → Beyond Density Functional Theory: The Multiconfigurational Approach To Model Heterogeneous Catalysis(2019)124 cited
- → Systematic Expansion of Active Spaces beyond the CASSCF Limit: A GASSCF/SplitGAS Benchmark Study(2015)69 cited
- → Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation(2020)69 cited
- → MC-PDFT can calculate singlet–triplet splittings of organic diradicals(2018)50 cited
- → Metal–Organic Frameworks with Metal–Catecholates for O2/N2Separation(2019)42 cited
- → Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks(2017)38 cited
- → Systematic design of active spaces for multi-reference calculations of singlet–triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data(2017)37 cited
- → Transition Metal Spin-State Energetics by MC-PDFT with High Local Exchange(2020)34 cited
- → Full Correlation in a Multiconfigurational Study of Bimetallic Clusters: Restricted Active Space Pair-Density Functional Theory Study of [2Fe–2S] Systems(2019)27 cited