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Analysis in silico of chemical reactivity employing the local hyper‐softness in some classic aromatic compounds, boron aromatic clusters and all‐metal aromatic clusters.
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- Journal of Computational Chemistry, 2022, v. 43, n. 1, p. 29, doi. 10.1002/jcc.26769
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- Article
Physicochemical and Theoretical Characterization of a New Small Non-Metal Schiff Base with a Differential Antimicrobial Effect against Gram-Positive Bacteria.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 5, p. 2553, doi. 10.3390/ijms23052553
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- Article
Explaining the High Catalytic Activity in Bis(indenyl)methyl Zirconium Cation Using Combined EDA‐NOCV/QTAIM Approach.
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- ChemPhysChem, 2023, v. 24, n. 2, p. 1, doi. 10.1002/cphc.202200488
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- Article
Correction: Why local softness and local hyper–softness are more appropriate local reactivity descriptors than dual descriptor and Fukui functions?
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- 2024
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- Correction Notice
Correction: The dual descriptor potential.
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- 2024
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- Correction Notice
Correction: Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively?
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- 2024
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- Publication type:
- Correction Notice
The dual descriptor potential.
- Published in:
- Journal of Mathematical Chemistry, 2024, v. 62, n. 5, p. 1094, doi. 10.1007/s10910-024-01583-y
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- Article
Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively?
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- Journal of Mathematical Chemistry, 2024, v. 62, n. 2, p. 461, doi. 10.1007/s10910-023-01539-8
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- Article
Viscous Sintering of Spherical Particles via Finite Element Analysis.
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- Journal of the American Ceramic Society, 1995, v. 78, n. 3, p. 645, doi. 10.1111/j.1151-2916.1995.tb08226.x
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- Article
The density polarization reveals directions of electron displacements due to the substituent effect: Analysis performed on a metal‐organic Mo‐Oxo catalyst.
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- Journal of Computational Chemistry, 2021, v. 42, n. 16, p. 1118, doi. 10.1002/jcc.26526
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- Article
A Generalized Operational Formula Based on Total Electronic Densities to Obtain 3D Pictures of the Dual Descriptor to Reveal Nucleophilic and Electrophilic Sites Accurately on Closed-Shell Molecules.
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- Journal of Computational Chemistry, 2016, v. 37, n. 25, p. 2279, doi. 10.1002/jcc.24453
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- Article
Analysis of capillary-driven viscous flows during the sintering of ceramic powders.
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- AIChE Journal, 1994, v. 40, n. 11, p. 1794, doi. 10.1002/aic.690401104
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- Article
Somatotype altitudinal variation and its relationship with the nutritional status of children in the Jujuy province, Argentina.
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- American Journal of Human Biology, 2023, v. 35, n. 9, p. 1, doi. 10.1002/ajhb.23910
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- Article
Proportionality indices, geographic altitude, and gestational age in newborns from Jujuy, Argentina.
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- American Journal of Human Biology, 2021, v. 33, n. 1, p. 1, doi. 10.1002/ajhb.23454
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- Article
Assessment of ten density functionals through the use of local hyper-softness to get insights about the catalytic activity.
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- Journal of Molecular Modeling, 2018, v. 24, n. 2, p. 0, doi. 10.1007/s00894-017-3576-5
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- Article
A 3D visualization of the substituent effect.
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- Journal of Molecular Modeling, 2018, v. 24, n. 1, p. N.PAG, doi. 10.1007/s00894-017-3565-8
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- Article
Solvent effect on the degree of (a)synchronicity in polar Diels-Alder reactions from the perspective of the reaction force constant analysis.
- Published in:
- Journal of Molecular Modeling, 2018, v. 24, n. 1, p. N.PAG, doi. 10.1007/s00894-017-3563-x
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- Article