1.5k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Harvard UniversityUS8 papers
- University of TorontoCA8 papers
- Massachusetts Institute of TechnologyUS7 papers
- Canadian Institute for Advanced ResearchCA5 papers
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- Agency for Science, Technology and ResearchSG4 papers
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Showing physics.chem-phShow all
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physics.chem-ph2023★ 6 cited
Ionization Potentials of First-Row Transition Metal Aqua Ions
Daniel Mejia-Rodriguez, Alexander A. Kunitsa, Edoardo Aprà +1
We report computations of the vertical ionization potentials within the approximation of the near-complete series of first-row transition metal (V-Cu) aqua ions in their most…
physics.chem-ph2022★ 32 cited
On the basis set selection for molecular core-level calculations
Daniel Mejia-Rodriguez, Alexander Kunitsa, Edoardo Aprà +1
The approximation has been recently gaining popularity among the method for simulating molecular core-level X-ray photoemission spectra. Traditionally, core-level binding…