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SN1 vs SN2 on sp3 carbon: exploring structural and electronic effects of substrate by DFT
Vol 21, 2021 -141636 -
Solvolysis of alkyl halides: the role of water as explicit solvent in SN1 and SN2 mechanism
Vol 21, 2021 -141269
Publicações em outros proceedings
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BMIC 2026
Don’t worry, I have a plane: A computational approach to evaluate the out-of-plane distortion on porphyrins complexes
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BMIC 2026
Exploring Akamptisomerism in B2OF2-Calixphyrins for the Design of Molecular Switches
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BMIC 2026
Chemical-Space Exploration of Akamptisomerism Beyond B₂OF₂-Porphyrins
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BMIC 2026
DFT Investigation of H2S Scavenging by MBO: Reaction Mechanism and Thermodynamics of Triazine Formation
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BMIC 2026
DFT Evaluation of H2S Scavengers Based on Aryl Ethers Functionalized with Ionic Liquid Cations
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