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2‐Aryl‐3H‐1,3‐Benzazaphosphole Oxides: Synthesis, Optical Properties, and Excited State Intramolecular Proton Transfer.
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- Chemistry - A European Journal, 2024, v. 30, n. 33, p. 1, doi. 10.1002/chem.202400807
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Synthesis, Structure, and Redox and Optical Properties of 5,10,15,20‐Tetraaryl‐5‐azaporphyrinium Salts.
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- Chemistry - A European Journal, 2023, v. 29, n. 61, p. 1, doi. 10.1002/chem.202302148
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- Article
Direct and Regioselective Amination of β‐Unsubstituted 5,15‐Diazaporphyrins with Amines: A Convenient Route to Near‐Infrared‐Responsive Diazaporphyrin Sensitizers.
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- Angewandte Chemie International Edition, 2018, v. 57, n. 14, p. 3797, doi. 10.1002/anie.201800471
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- Article
Redox-Switchable 20π-, 19π-, and 18π-Electron 5,10,15,20-Tetraaryl-5,15-diazaporphyrinoid Nickel(II) Complexes.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 6, p. 2235, doi. 10.1002/anie.201510734
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- Article
Retro-Diels-Alder Approach to the Synthesis of π-Expanded Azuliporphyrins and Their Porphyrinoid Aromaticity.
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- Chemistry - A European Journal, 2012, v. 18, n. 40, p. 12854, doi. 10.1002/chem.201201399
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Nickel(II) and Copper(II) Complexes of β-Unsubstituted 5,15-Diazaporphyrins and Pyridazine-Fused Diazacorrinoids: Metal-Template Syntheses and Peripheral Functionalizations.
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- Chemistry - A European Journal, 2012, v. 18, n. 20, p. 6208, doi. 10.1002/chem.201200463
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Synthesis of Redox‐switchable 5,15‐Dialkyl‐10,20‐diaryl‐5,15‐diazaporphyrins and Diversification of their N‐Alkyl Groups.
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- Asian Journal of Organic Chemistry, 2019, v. 8, n. 3, p. 352, doi. 10.1002/ajoc.201900085
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- Article
Nitrogen-Bridged Metallodiazaporphyrin Dimers: Synergistic Effects of Nitrogen Bridges and meso-Nitrogen Atoms on Structure and Properties.
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- Chemistry - An Asian Journal, 2017, v. 12, n. 7, p. 816, doi. 10.1002/asia.201700204
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Synthesis and Aggregation Behavior of meso-Sulfinylporphyrins: Evaluation of S-Chirality Effects on the Self-Organization to S-Oxo-Tethered Cofacial Porphyrin Dimers.
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- Chemistry - An Asian Journal, 2007, v. 2, n. 11, p. 1417, doi. 10.1002/asia.200700191
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- Article
Synthesis and properties of redox‐switchable zinc complexes of 10,15,20‐triaryl‐15‐aza‐5‐oxaporphyrin.
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- Heteroatom Chemistry, 2018, v. 29, n. 5/6, p. N.PAG, doi. 10.1002/hc.21456
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N,S,P-Hybrid Donor-π-Acceptor Organic Dyes for Dye-Sensitized Solar Cell: Synthesis, Optical Properties, and Photovoltaic Performances.
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- Heteroatom Chemistry, 2014, v. 25, n. 6, p. 533, doi. 10.1002/hc.21188
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- Article
Molecular spinors suitable for four-component relativistic correlation calculations: Studies of LaF<sup>+</sup> and LaF using multiconfigurational quasi-degenerate perturbation theory.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 9, p. 1898, doi. 10.1002/qua.22013
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Low-lying excited states of 7-aminocoumarin derivatives: A theoretical study.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 9, p. 1940, doi. 10.1002/qua.22019
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- Article
New algorithm for electron repulsion integrals oriented to the general contraction scheme.
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- International Journal of Quantum Chemistry, 2000, v. 76, n. 3, p. 396, doi. 10.1002/(SICI)1097-461X(2000)76:3<396::AID-QUA8>3.0.CO;2-A
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Theoretical study of the π→π* excited states of linear polyenes: The energy gap between 1<sup>1</sup> B<sub>u</sub><sup>+</sup> and 2<sup>1</sup> A<sub>g</sub><sup>−</sup> states and their character.
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- International Journal of Quantum Chemistry, 1998, v. 66, n. 2, p. 157, doi. 10.1002/(SICI)1097-461X(1998)66:2<157::AID-QUA7>3.0.CO;2-U
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- Article
Unsymmetrically Substituted Donor-π-Acceptor-Type 5,15-Diazaporphyrin Sensitizers: Synthesis, Optical and Photovoltaic Properties.
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- ChemPlusChem, 2017, v. 82, n. 5, p. 695, doi. 10.1002/cplu.201700051
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Solvent effects in four‐component relativistic electronic structure theory based on the reference interaction‐site model.
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- Journal of Computational Chemistry, 2023, v. 44, n. 1, p. 5, doi. 10.1002/jcc.27009
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Cover Image.
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- Journal of Computational Chemistry, 2021, v. 42, n. 8, p. C1, doi. 10.1002/jcc.26502
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A computational method to simulate global conformational changes of proteins induced by cosolvent.
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- Journal of Computational Chemistry, 2021, v. 42, n. 8, p. 552, doi. 10.1002/jcc.26481
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Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixtures.
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- Journal of Computational Chemistry, 2017, v. 38, n. 28, p. 2411, doi. 10.1002/jcc.24902
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Three-dimensional reference interaction site model self-consistent field analysis of solvent and substituent effects on the absorption spectra of Brooker's merocyanine.
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- Journal of Computational Chemistry, 2015, v. 36, n. 22, p. 1655, doi. 10.1002/jcc.23980
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Generalized Foldy–Wouthuysen transformation for relativistic two‐component methods: Systematic analysis of two‐component Hamiltonians.
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- Journal of Computational Chemistry, 2024, v. 45, n. 9, p. 523, doi. 10.1002/jcc.27251
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- Article
Direct and Regioselective Amination of β‐Unsubstituted 5,15‐Diazaporphyrins with Amines: A Convenient Route to Near‐Infrared‐Responsive Diazaporphyrin Sensitizers.
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- Angewandte Chemie, 2018, v. 130, n. 14, p. 3859, doi. 10.1002/ange.201800471
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- Publication type:
- Article
Redox-Switchable 20π-, 19π-, and 18π-Electron 5,10,15,20-Tetraaryl-5,15-diazaporphyrinoid Nickel(II) Complexes.
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- Angewandte Chemie, 2016, v. 128, n. 6, p. 2275, doi. 10.1002/ange.201510734
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- Article
Recent Developments of Computational Methods for p K a Prediction Based on Electronic Structure Theory with Solvation Models.
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- J: Multidisciplinary Scientific Journal, 2021, v. 4, n. 4, p. 849, doi. 10.3390/j4040058
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Synthesis, Optical Properties, and Electrochemical Behavior of 5,10,15,20‐Tetraaryl‐5,15‐diazaporphyrin‐Amine Hybrids.
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- ChemPlusChem, 2021, v. 86, n. 10, p. 1476, doi. 10.1002/cplu.202100429
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Syntheses, Properties, and Catalytic Activities of Metal(II) Complexes and Free Bases of Redox-Switchable 20π, 19π, and 18π 5,10,15,20-Tetraaryl-5,15-diazaporphyrinoids.
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- Chemistry - A European Journal, 2017, v. 23, n. 64, p. 16364, doi. 10.1002/chem.201703664
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Optical, Electrochemical, and Magnetic Properties of Pyrrole- and Thiophene-Bridged 5,15-Diazaporphyrin Dimers.
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- Chemistry - A European Journal, 2015, v. 21, n. 5, p. 2003, doi. 10.1002/chem.201405482
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Covalently Linked 5,15-Diazaporphyrin Dimers: Promising Scaffolds for a Highly Conjugated Azaporphyrin π System.
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- Chemistry - A European Journal, 2014, v. 20, n. 12, p. 3342, doi. 10.1002/chem.201304626
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A non-orthogonal Kohn-Sham method using partially fixed molecular orbitals.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 5, p. 328, doi. 10.1007/s00214-003-0477-8
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Maximum radius of convergence perturbation theory: test calculations on Be, Ne, H<sub>2</sub> and HF.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 110, n. 3, p. 185, doi. 10.1007/s00214-003-0473-z
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Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems.
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- Journal of Computational Chemistry, 2003, v. 24, n. 12, p. 1390
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Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions.
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- Journal of Computational Chemistry, 2002, v. 23, n. 12, p. 1166, doi. 10.1002/jcc.10050
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9‐(Diphenylphosphoryl)‐10‐(phenylethynyl)anthracene Derivatives: Synthesis and Implications for the Substituent and Solvent Effects on the Light‐Emitting Properties.
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- ChemPhotoChem, 2022, v. 6, n. 9, p. 1, doi. 10.1002/cptc.202200100
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