Found: 22
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Ab initio calculations on structure and stability of BN/CC isosterism in azulene.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-37047-7
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- Article
A thermochemistry and kinetic study on the thermal decomposition of ethoxyquinoline and ethoxyisoquinoline.
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- International Journal of Chemical Kinetics, 2018, v. 50, n. 8, p. 604, doi. 10.1002/kin.21186
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- Article
Biophysicochemical studies of a ruthenium (II) nitrosyl thioether‐thiolate complex binding to BSA: Mechanistic information, molecular docking, and relationship to antibacterial and cytotoxic activities.
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- Applied Organometallic Chemistry, 2022, v. 36, n. 4, p. 1, doi. 10.1002/aoc.6583
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- Article
Synthesis, spectral characterization, density functional theory studies, and biological screening of some transition metal complexes of a novel hydrazide–hydrazone ligand of isonicotinic acid.
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- Applied Organometallic Chemistry, 2021, v. 35, n. 6, p. 1, doi. 10.1002/aoc.6205
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- Article
Synthesis, structural, spectroscopic, and thermal studies of some transition‐metal complexes of a ligand containing the amino mercapto triazole moiety.
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- Applied Organometallic Chemistry, 2020, v. 34, n. 5, p. 1, doi. 10.1002/aoc.5591
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- Article
DNA Binding and Cleavage, Stopped-Flow Kinetic, Mechanistic, and Molecular Docking Studies of Cationic Ruthenium(II) Nitrosyl Complexes Containing "NS 4 " Core.
- Published in:
- Molecules, 2023, v. 28, n. 7, p. 3028, doi. 10.3390/molecules28073028
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- Article
Wide Nematogenic Azomethine/Ester Liquid Crystals Based on New Biphenyl Derivatives: Mesomorphic and Computational Studies.
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- Molecules, 2022, v. 27, n. 13, p. 4150, doi. 10.3390/molecules27134150
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- Article
Attenuation of Redox Switching and Rectification in Azulenequinones/Hydroquinones after B and N Doping: A First‐Principles Investigation.
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- Advanced Theory & Simulations, 2021, v. 4, n. 1, p. 1, doi. 10.1002/adts.202000203
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- Article
Computational Studies on the Thermodynamic and Kinetic Parameters of Oxidation of 2-Methoxyethanol Biofuel via H-Atom Abstraction by Methyl Radical.
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- Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-51544-8
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- Article
Adsorption of Oleic Acid on Silica Gel Derived from Rice Ash Hulls: Experimental and Theoretical Studies.
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- Adsorption Science & Technology, 2006, v. 24, n. 9, p. 797, doi. 10.1260/026361706781388978
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- Article
Correction to: Cubically cage-shaped mesoporous ordered silica for simultaneous visual detection and removal of uranium ions from contaminated seawater.
- Published in:
- 2022
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- Publication type:
- Correction Notice
Cubically cage-shaped mesoporous ordered silica for simultaneous visual detection and removal of uranium ions from contaminated seawater.
- Published in:
- Microchimica Acta, 2022, v. 189, n. 1, p. 1, doi. 10.1007/s00604-021-05083-7
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- Article
Selective Recovery of Silver(I) Ions from E-Waste using Cubically Multithiolated Cage Mesoporous Monoliths.
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- European Journal of Inorganic Chemistry, 2017, v. 2017, n. 41, p. 4823, doi. 10.1002/ejic.201700644
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- Article
Quantum chemical studies on structures and spectra of 2,5-distyrylpyrazine (DSP) laser dye.
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- Journal of Computational Chemistry, 1998, v. 19, n. 6, p. 585, doi. 10.1002/(SICI)1096-987X(19980430)19:6<585::AID-JCC2>3.0.CO;2-N
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- Article
Structures and stabilization energies of methyl anions with main group substituents from the first five periods.
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- Journal of Computational Chemistry, 1994, v. 15, n. 6, p. 596, doi. 10.1002/jcc.540150605
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- Publication type:
- Article
First-principle kinetic studies of unimolecular pyrolysis of isopropyl esters as biodiesel surrogates.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 8, p. 1, doi. 10.1007/s00214-021-02800-6
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- Article
Synthesis and Photophysical Properties of the 2-(3-(2-Alkyl-6,8-diaryl-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)propyl)-6,8-diarylquinazolin-4(3H)-ones.
- Published in:
- Molecules, 2014, v. 19, n. 7, p. 9712, doi. 10.3390/molecules19079712
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- Article
Synthesis and Photophysical Property Studies of the 2,6,8-Triaryl-4-(phenylethynyl)quinazolines.
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- Molecules, 2014, v. 19, n. 1, p. 795, doi. 10.3390/molecules19010795
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- Publication type:
- Article
Thermochemistry and Kinetics of the Thermal Degradation of 2-Methoxyethanol as Possible Biofuel Additives.
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- Scientific Reports, 2019, v. 9, n. 1, p. 1, doi. 10.1038/s41598-019-40890-2
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- Publication type:
- Article
DFT study, and natural bond orbital (NBO) population analysis of 2-(2-Hydroxyphenyl)-1-azaazulene tautomers and their mercapto analouges.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-023-50660-w
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- Publication type:
- Article
A density functional theory study of the molecular structure, reactivity, and spectroscopic properties of 2-(2-mercaptophenyl)-1-azaazulene tautomers and rotamers.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-42450-1
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- Publication type:
- Article
A density functional theory study of the molecular structure, reactivity, and spectroscopic properties of 2-(2-mercaptophenyl)-1-azaazulene tautomers and rotamers.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-42450-1
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- Publication type:
- Article