A DFT‐Based Protocol for Modeling the Structure and Reactivity of Gold(III) Complexes.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 19, p. 1, doi. 10.1002/jcc.70179
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- Article
Works matching AU Paschoal, Diego F. S.
Results: 7
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Assessment of a Computational Protocol for Predicting Co-59 NMR Chemical Shift.
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- Magnetochemistry, 2023, v. 9, n. 7, p. 172, doi. 10.3390/magnetochemistry9070172
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- Article
3
Predicting Pt-195 NMR Chemical Shift and ¹J(<sup>195</sup>Pt-<sup>31</sup>P) Coupling Constant for Pt(0) Complexes Using the NMR-DKH Basis Sets.
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- Magnetochemistry, 2021, v. 7, n. 11, p. 1, doi. 10.3390/magnetochemistry7110148
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- Article
4
Antivirals virtual screening to SARS-CoV-2 non-structural proteins.
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- Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 19, p. 8989, doi. 10.1080/07391102.2021.1921033
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- Article
5
Molecular modeling of multi-target analogs of huperzine A and applications in Alzheimer's disease.
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- Journal of Molecular Modeling, 2024, v. 30, n. 7, p. 1, doi. 10.1007/s00894-024-05991-4
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- Article
6
Vibrational frequencies and intramolecular force constants for cisplatin: assessing the role of the platinum basis set and relativistic effects.
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- Journal of Molecular Modeling, 2021, v. 27, n. 11, p. 1, doi. 10.1007/s00894-021-04937-4
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- Article
7
Intramolecular force field for carboxylate Pt(II)-complexes.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 8, p. 1, doi. 10.1007/s00214-022-02901-w
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- Article