Deborah Penchoff
Affiliations: | Michigan State University, East Lansing, MI |
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| Valeev EF, Harrison RJ, Holmes AA, et al. (2023) Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules. Journal of Chemical Theory and Computation. 19: 7230-7241 |
| DeJesus JF, Kerr RWF, Penchoff DA, et al. (2021) Actinide tetra-N-heterocyclic carbene 'sandwiches'. Chemical Science. 12: 7882-7887 |
| Peterson CC, Penchoff DA, Auxier JD, et al. (2019) Establishing Cost-Effective Computational Models for the Prediction of Lanthanoid Binding in [Ln(NO)] (with Ln = La to Lu). Acs Omega. 4: 1375-1385 |
| Penchoff DA, Peterson CC, Quint MS, et al. (2018) Structural Characteristics, Population Analysis, and Binding Energies of [An(NO)] (with An = Ac to Lr). Acs Omega. 3: 14127-14143 |
| Penchoff DA, Peterson CC, Camden JP, et al. (2018) Structural Analysis of the Complexation of Uranyl, Neptunyl, Plutonyl, and Americyl with Cyclic Imide Dioximes. Acs Omega. 3: 13984-13993 |
| Peterson C, Penchoff DA, Wilson AK. (2016) Prediction of Thermochemical Properties Across the Periodic Table: A Review of the correlation consistent Composite Approach (ccCA) Strategies and Applications Annual Reports in Computational Chemistry |
| Peterson C, Penchoff DA, Wilson AK. (2015) Ab initio approaches for the determination of heavy element energetics: Ionization energies of trivalent lanthanides (Ln = La-Eu). The Journal of Chemical Physics. 143: 194109 |