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A DFT study of Pd(OAc)2 assisted C-(sp2)-H bond activation.
Vol 2, 2023 -164257 -
COMPUTATION-GUIDED APPROACHES FOR RAPID DETECTION OF NEW PSYCHOACTIVE SUBSTANCES: CATHINONE FAMILY
Vol 2, 2023 -165034 -
Structural, vibrational, and electronic properties of the [Ni(Phen)(C4H2O4)(H2O)3] coordination complex: Synthesis and DFT study
Vol 2, 2023 -165020 -
Influência de Substituintes na Redução de Barreiras Energéticas em Reações de Ativação do H2 por Pares de Lewis Frustrados
Vol 2, 2023 -164869 -
Density Functional Theory Investigation of the Contributions of π-π Stacking and Hydrogen Bonding to the Supramolecular Aggregation Interactions of Asphaltene Heterocycles
Vol 2, 2023 -165158
Publications in other proceedings
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BCNP 2021
Structural revision of Heliannuol L: DFT calculations of NMR chemical shifts and coupling constants
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SBQT 2021
DFT study of the dichloro(L-histidine) copper(II) coordination complex
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SBQT 2021
INSIGHTS FROM DFT ANALYSIS INTO PALLADIUM-CATALYZED HECK COUPLING BETWEEN 3-BROMO-2-METHOXYLAWSONE AND 1H-1,2,3-TRIAZOLES DERIVATIVES
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SBQT 2021
SN1 vs SN2 on sp3 carbon: exploring structural and electronic effects of substrate by DFT
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SBQT 2021
THEORETICAL STUDY OF BIO-DIESEL VISCOSITY AND DENSITY USING MOLECULAR DYNAMICS
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