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BMIC 2026
Orbital Overlap from Multiconfigurational Wavefunctions: A New Way to Explore the Nature of the Metal–Ligand Chemical Bond in Complexes
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
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