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Book of abstracts of the Brazilian Meeting on Inorganic Chemistry (BMIC)

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Federal Rural University of Pernambuco

Renaldo Moura Jr

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Papers 1
  • Orbital Overlap from Multiconfigurational Wavefunctions: A New Way to Explore the Nature of the Metal–Ligand Chemical Bond in Complexes

    • Santos-Jr, C. V. 1
    • Moura Jr, R. T. 2
    • 1 Universidade Federal da Paraíba - UFPB
    • 2 Universidade Federal Rural de Pernambuco
    -
    344006
    TL05 - Theoretical and Computational Inorganic Chemistry
    Short Presentation

Co-authors (1)

  • Carlos Vital dos Santos Júnior

    1 publication

Publications in other proceedings

  • SBQT 2023

    Dynamics of vibronic intersystem crossing in lanthanide(III) complexes

  • SBQT 2023

    Ligação S–H no aminotiofenol: descritores de recobrimento e QTAIM

  • SBQT 2023

    Automatic generation of local vibrational mode parameters: from small to large Molecules, QM/MM systems, and lanthanide complex

  • SBQT 2023

    Chemical bond overlap descriptors from MCSCF wavefunctions

  • SBQT 2023

    Chemical bonds in Lewis adducts: overlap descriptors and QTAIM in describing the covalent fraction from the ECW model.

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