0000-0002-5722-0894 Employment
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Publications (20)
- Formation of hydrided Pt-Ce-H sites in efficient, selective oxidation catalysts Save
- M11pz: A Nonlocal Meta Functional with Zero Hartree–Fock Exchange and with Broad Accuracy for Chemical Energies and Structures Save
- Comparing Density Functional Theory Metal–Ligand Bond Dissociation Enthalpies with Experimental Solution-Phase Enthalpies of Activation for Bond Dissociation Save
- Performance of Screened-Exchange Functionals for Band Gaps and Lattice Constants of Crystals Save
- Stabilized open metal sites in bimetallic metal–organic framework catalysts for hydrogen production from alcohols Save
- M11plus, a Range-Separated Hybrid Meta Functional Incorporating Nonlocal Rung-3.5 Correlation, Exhibits Broad Accuracy on Diverse Databases Save
- M06-SX screened-exchange density functional for chemistry and solid-state physics Save
- M11plus: A Range-Separated Hybrid Meta Functional with Both Local and Rung-3.5 Correlation Terms and High Across-the-Board Accuracy for Chemical Applications Save
- Revised M11 Exchange-Correlation Functional for Electronic Excitation Energies and Ground-State Properties Save
- Is the Inversion of Phosphorus Trihalides (PF3, PCl3, PBr3, and PI3) a Diradical Process? Save