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Analysis of chemical bonds in SN2@C and @Si reactions mechanisms in the gas phase
Vol 21, 2021 -141442 -
Experimental and computational study of new deep eutectic solvents based on Benzalkonium chloride
Vol 21, 2021 -141800 -
Interações entre folhas de grafeno pura e dopada e gases do efeito estufa sob a luz de métodos de análise de ligações
Vol 21, 2021 -141772 -
New methodology for thermal effects inclusion in 4f-4f intensity parameters based on vibrational normal modes
Vol 21, 2021 -141789 -
ESTUDO COMPUTACIONAL DE INTERAÇÕES SIMULTÂNEAS DE HALOGÊNIO ANFOTÉRICO EM COMPLEXOS COM ÁTOMOS DE CARBONO E OXIGÊNIO
Vol 21, 2021 -141836
Publications in other proceedings
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SBQT 2023
Dynamics of vibronic intersystem crossing in lanthanide(III) complexes
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SBQT 2023
Ligação S–H no aminotiofenol: descritores de recobrimento e QTAIM
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SBQT 2023
Automatic generation of local vibrational mode parameters: from small to large Molecules, QM/MM systems, and lanthanide complex
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SBQT 2023
Chemical bond overlap descriptors from MCSCF wavefunctions
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SBQT 2023
Chemical bonds in Lewis adducts: overlap descriptors and QTAIM in describing the covalent fraction from the ECW model.
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