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A computational investigation of the thermodynamics and kinetics of multiple single-step electron transfers of various Ni- and chalcogen-containing complexes.
- Published in:
- Canadian Journal of Chemistry, 2024, v. 102, n. 5, p. 310, doi. 10.1139/cjc-2023-0151
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- Article
A QM/MM investigation of the catalytic mechanism of acetylene hydratase: insights into engineering a more effective enzyme.
- Published in:
- Canadian Journal of Chemistry, 2021, v. 99, n. 3, p. 317, doi. 10.1139/cjc-2020-0322
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- Article
Computational investigation of the reaction of nickel-bis(dithiolene) and nickel-bis(diselenolene) complexes with OH.
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- Canadian Journal of Chemistry, 2021, v. 99, n. 3, p. 346, doi. 10.1139/cjc-2020-0318
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- Article
A computational investigation into nickel-bis(diselenolene) complexes as potential catalysts for reduction of H<sup>+</sup> to H<sub>2</sub>.
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- Canadian Journal of Chemistry, 2018, v. 96, n. 1, p. 51, doi. 10.1139/cjc-2017-0565
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- Article
A computational investigation into the catalytic activity of a diselenolene sulfite oxidase biomimetic complex.
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- Canadian Journal of Chemistry, 2016, v. 94, n. 12, p. 1127, doi. 10.1139/cjc-2016-0244
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- Article
The acidity of β-phosphoglucomutase monofluoromethylenephosphonate ligands probed by NMR spectroscopy and quantum mechanical methods.
- Published in:
- Canadian Journal of Chemistry, 2016, v. 94, n. 11, p. 902, doi. 10.1139/cjc-2015-0477
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- Article