Ernest Opoku
Affiliations: | 2020- | Chemistry and Biochemistry | Auburn University, Auburn, AL, United States |
Area:
Quantum Chemistry, Propagator TheoryWebsite:
https://sites.google.com/view/ernopokuGoogle:
"Ernest Opoku"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Joseph Vincent Ortiz | grad student | 2020- | Auburn University |
| Evans Adei | grad student | 2017-2019 | Kwame Nkrumah University of Science and Technology |
| Richard Tia | grad student | 2017-2019 | Kwame Nkrumah University of Science and Technology |
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Publications
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| Opoku E, Pawłowski F, Ortiz JV. (2024) New-Generation Electron-Propagator Methods for Vertical Electron Detachment Energies of Molecular Anions: Benchmarks and Applications to Model Green-Fluorescent-Protein Chromophores Physical Chemistry Chemical Physics. 26: 9915–9930 |
| Opoku E, Pawłowski, and Ortiz JV. (2024) New-Generation Electron-Propagator Methods for Molecular Electron-Binding Energies The Journal of Physical Chemistry A. 128: 1399–1416 |
| Opoku E, Pawłowski F, Ortiz JV. (2024) New-Generation Electron-Propagator Methods for Calculations of Electron Affinities and Ionization Energies: Tests on Organic Photovoltaic Molecules Journal of Chemical Theory and Computation. 20: 290–306 |
| Opoku E, Pawłowski, and Ortiz JV. (2023) A new generation of non-diagonal, renormalized self-energies for calculation of electron removal energies Journal of Chemical Physics. 159: 124109 |
| Opoku E, Pawłowski, and Ortiz JV. (2023) Electron Propagator Theory of Vertical Electron Detachment Energies of Anions: Benchmarks and Applications to Nucleotides The Journal of Physical Chemistry A. 127: 1085–1101 |
| Gyamfi AO, Nyame CA, Opoku E. (2023) Halogenation lowers the electron affinity: A novel approach to design superalkali cationic clusters Chemical Physics Letters. 810: 140181 |
| Atta-Kumi J, Baffour Pipim G, Opoku E. (2023) Tandem [4+2]/retro[3+2]/[3+2] cycloaddition reactions of fluorinated-oxadiazoles with conjugated, unconjugated, cyclic, and acyclic dienes Journal of Physical Organic Chemistry |
| Opoku E, Pawłowski F, Ortiz JV. (2022) Double Rydberg anions, Rydberg radicals and micro-solvated cations with ammonium-water kernels. Physical Chemistry Chemical Physics : Pccp. 24: 18347-18360 |
| Opoku E, Pawłowski F, Ortiz JV. (2022) Electron Propagator Self-Energies versus Improved GW100 Vertical Ionization Energies. Journal of Chemical Theory and Computation. 18: 4927-4944 |
| Donkor B, Umar AR, Opoku E. (2022) Mechanistic elucidation of the tandem Diels-Alder/(3 + 2) cycloadditions in the design and syntheses of heterosteroids. Journal of Molecular Modeling. 28: 70 |