Diego Fernando da Silva Paschoal

8PUBLICATIONS
9CO-AUTHORS
Theoretical quantum chemistryComputational chemistryBiomolecular modelling and designMain group metal chemistryNonlinear optics and spectroscopy
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Publications (8)

|May 22, 2026
Modifying def2-TZVPP: A Minimal Diffuse Addition for Reliable ΔE Versus ρ(BCP) Relationships in H-Bonded Systems.

|Nov 03, 2025
Predicting Ti-49 NMR Chemical Shift With New NMR-DKH Basis Set.

Matheus Gunar Ramalho Gomes, Catherine Rodrigues Siqueira de Souza, Diego Fernando da Silva Paschoal

|Jul 10, 2025
A DFT-Based Protocol for Modeling the Structure and Reactivity of Gold(III) Complexes.

Luana P P Cunha, Larissa P N M Pinto, Willian T G Novato

|Jun 08, 2024
Molecular modeling of multi-target analogs of huperzine A and applications in Alzheimer's disease.

Leonardo F de Sousa, Diego F S Paschoal, Willian T G Novato

|Jan 29, 2024
S-Se oxidative addition to auranofin derivatives: a DFT study.

Hélio F Dos Santos, Diego F S Paschoal

|Aug 05, 2022
Computational Prediction of Tc-99 NMR Chemical Shifts in Technetium Complexes with Radiopharmaceutical Applications.

Taís F C B de Andrade, Hélio F Dos Santos, Célia Fonseca Guerra

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Frequent Collaborators

4 joint publications

Hélio F Dos Santos

2 joint publications

Willian T G Novato

1 joint publications

Célia Fonseca Guerra

1 joint publications

Leonardo F de Sousa