Adjusting UV‐Vis Spectrum of Alizarin by Insertion of Auxochromes.
- Published in:
- ChemistryOpen, 2024, v. 13, n. 8, p. 1, doi. 10.1002/open.202400030
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- Publication type:
- Article
Works by de P. R. Moreira, Ibério
Results: 13
1
2
On the Mechanism of Phenolic Formylation Mediated by TiCl<sub>4</sub> Complexes: Existence of Diradical Intermediates Induced by Valence Tautomerism.
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- European Journal of Organic Chemistry, 2015, v. 2015, n. 10, p. 2111, doi. 10.1002/ejoc.201403548
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- Article
3
Merging multiconfigurational wavefunctions and correlation functionals to predict magnetic coupling constants.
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- Journal of Computational Chemistry, 2007, v. 28, n. 16, p. 2559, doi. 10.1002/jcc.20757
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- Article
4
Spin Symmetry Requirements in Density Functional Theory: The Proper Way to Predict Magnetic Coupling Constants in Molecules and Solids.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 116, n. 4/5, p. 587, doi. 10.1007/s00214-006-0104-6
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- Article
5
Controlling pairing of π-conjugated electrons in 2D covalent organic radical frameworks via in-plane strain.
- Published in:
- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-21885-y
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- Article
6
Fully Conjugated Heteroatomic Non- and Quasi-Alternant Polyradicals.
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- Chemistry (2624-8549), 2025, v. 7, n. 2, p. 45, doi. 10.3390/chemistry7020045
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- Article
7
Performance of plane-wave-based LDA+U and GGA+U approaches to describe magnetic coupling in molecular systems.
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- Journal of Computational Chemistry, 2009, v. 30, n. 14, p. 2316, doi. 10.1002/jcc.21221
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- Article
8
Differential Behavior of Amino-Imino Constitutional Isomers in Nonlinear Optical Processes.
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- ChemPhysChem, 2010, v. 11, n. 4, p. 912, doi. 10.1002/cphc.200900616
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- Publication type:
- Article
9
Optimal Oriented External Electric Fields to Trigger a Barrierless Oxaphosphetane Ring Opening Step of the Wittig Reaction.
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- Chemistry - A European Journal, 2024, v. 30, n. 27, p. 1, doi. 10.1002/chem.202400173
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- Publication type:
- Article
10
Time-optimal control of a solid-state spin amidst dynamical quantum wind.
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- NPJ Quantum Information, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41534-024-00912-y
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- Article
11
A catastrophe theory-based model for optimal control of chemical reactions by means of oriented electric fields.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 2, p. 1, doi. 10.1007/s00214-023-02959-0
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- Article
12
Exploring potential energy surfaces with gentlest ascent dynamics in combination with the shrinking dimer method and Newtonian dynamics.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 6, p. 1, doi. 10.1007/s00214-018-2246-8
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- Article
13
Triplet–singlet gap in structurally flexible organic diradicals.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 2, p. 1, doi. 10.1007/s00214-015-1619-5
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- Publication type:
- Article