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Creators/Authors contains: "Vogiatzis, Konstantinos D"

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  1. (, Chemical Communications)
    A synergistic user-AI study for designing molecules with high CO2affinity. We demonstrate how LLMs can increase chemists' creativity and highlight the vital role of domain knowledge. 
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    Free, publicly-accessible full text available July 3, 2026
  2. ; ; ; ; (, Organometallics)
    Free, publicly-accessible full text available June 23, 2026
  3. ; (, Digital Discovery)
    An active learning workflow that combines electronic structure and molecular topology was developed for the in silico design of organic ligands for actinium capture in solution. 
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    Free, publicly-accessible full text available April 9, 2026
  4. ; ; ; (, The Journal of Physical Chemistry A)
    Free, publicly-accessible full text available April 3, 2026
  5. ; ; ; (, Dalton Transactions)
    A comprehensive computational study on the underlying reactivity of iron tetra-NHC complexes for C2+ N1aziridination catalysis is presented. 
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  6. ; ; ; ; ; (, Dalton Transactions)
    A chiral tetra-NHC iron(ii) complex and its disparate reactivity with multiple organic azides is reported. 
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    Full Text Available 
  7. ; ; (, The Journal of Physical Chemistry A)
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  8. ; ; ; (, The Journal of Physical Chemistry A)
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  9. ; ; ; ; (, Journal of the American Chemical Society)
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  10. ; ; ; (, The Journal of Physical Chemistry Letters)
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