Quintano M - Search Results

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Theoretical insights into the vibrational spectra and chemical bonding of Ln(III) complexes with a tripodal N₄O₃ ligand along the lanthanide series.

Machado FC, Quintano M, Santos-Jr CV, Carneiro Neto AN, Kraka E, Longo RL, Moura RT Jr. Machado FC, et al. Among authors: quintano m. Phys Chem Chem Phys. 2025 Jan 22;27(4):1794-1803. doi: 10.1039/d4cp03677h. Phys Chem Chem Phys. 2025. PMID: 39560452

Exploring Jahn-Teller distortions: a local vibrational mode perspective.

Quintano M, Moura RT Jr, Kraka E. Quintano M, et al. J Mol Model. 2024 Mar 13;30(4):102. doi: 10.1007/s00894-024-05882-8. J Mol Model. 2024. PMID: 38478107 Free PMC article.

Automatic Generation of Local Vibrational Mode Parameters: From Small to Large Molecules and QM/MM Systems.

Moura RT Jr, Quintano M, Antonio JJ, Freindorf M, Kraka E. Moura RT Jr, et al. Among authors: quintano m. J Phys Chem A. 2022 Dec 15;126(49):9313-9331. doi: 10.1021/acs.jpca.2c07871. Epub 2022 Dec 6. J Phys Chem A. 2022. PMID: 36472412

The Local Vibrational Mode Theory and Its Place in the Vibrational Spectroscopy Arena.

Kraka E, Quintano M, La Force HW, Antonio JJ, Freindorf M. Kraka E, et al. Among authors: quintano m. J Phys Chem A. 2022 Dec 1;126(47):8781-8798. doi: 10.1021/acs.jpca.2c05962. Epub 2022 Nov 8. J Phys Chem A. 2022. PMID: 36346943 Review.

Computational insights into the reactivity of chlorpyrifos and chlorpyrifos-methyl toward singlet oxygen.

Quintano MM, Rocha WR. Quintano MM, et al. J Mol Model. 2021 Sep 10;27(10):282. doi: 10.1007/s00894-021-04897-9. J Mol Model. 2021. PMID: 34505937

Revisiting the Tropospheric OH-Initiated Unimolecular Decomposition of Chlorpyrifos and Chlorpyrifos-Methyl: A Theoretical Perspective.

Quintano MM, Rodrigues GLS, Chagas MA, Rocha WR. Quintano MM, et al. J Phys Chem A. 2020 May 28;124(21):4280-4289. doi: 10.1021/acs.jpca.0c02006. Epub 2020 May 14. J Phys Chem A. 2020. PMID: 32374604

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