Works matching AU Semmeq, Abderrahmane
Results: 11
Calculations of the Structural, Elastic, Magnetic, and Electronic Properties of the New Compound BaZr<sub>0.5</sub>Mn<sub>0.5</sub>O<sub>3</sub> with Tetragonal Structure.
- Published in:
- Journal of Superconductivity & Novel Magnetism, 2018, v. 31, n. 10, p. 3339, doi. 10.1007/s10948-018-4594-y
- By:
- Publication type:
- Article
Nucleic Acids under Stress: Understanding and Simulating Nucleobase Fragmentation Pathways.
- Published in:
- ChemPlusChem, 2021, v. 86, n. 10, p. 1426, doi. 10.1002/cplu.202100323
- By:
- Publication type:
- Article
Unravelling the Methylene Blue Adsorption Mechanism on Doped and Nondoped Polyaniline: A Combined Molecular Modeling and Experimental Investigation.
- Published in:
- International Journal of Chemical Engineering (1687806X), 2022, p. 1, doi. 10.1155/2022/3181963
- By:
- Publication type:
- Article
In silico investigations of some Cyperus rotundus compounds as potential anti-inflammatory inhibitors of 5-LO and LTA4H enzymes.
- Published in:
- Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 22, p. 11571, doi. 10.1080/07391102.2021.1960197
- By:
- Publication type:
- Article
Effect of the main constituents of Pistacia lentiscus leaves against the DPPH radical and xanthine oxidase: experimental and theoretical study.
- Published in:
- Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 20, p. 9870, doi. 10.1080/07391102.2021.1936182
- By:
- Publication type:
- Article
DNA Nucleobase under Ionizing Radiation: Unexpected Proton Transfer by Thymine Cation in Water Nanodroplets.
- Published in:
- Chemistry - A European Journal, 2020, v. 26, n. 49, p. 11340, doi. 10.1002/chem.202002025
- By:
- Publication type:
- Article
Cover Feature: Ab Initio Study of the Stepwise versus Concerted Fragmentation Pathways in Microhydrated Thymine Radical Cations (Chem. Eur. J. 68/2019).
- Published in:
- Chemistry - A European Journal, 2019, v. 25, n. 68, p. 15427, doi. 10.1002/chem.201903862
- By:
- Publication type:
- Article
Ab Initio Study of the Stepwise versus Concerted Fragmentation Pathways in Microhydrated Thymine Radical Cations.
- Published in:
- Chemistry - A European Journal, 2019, v. 25, n. 68, p. 15525, doi. 10.1002/chem.201902462
- By:
- Publication type:
- Article
Electronic structure and optical properties of isolated and TiO<sub>2</sub>‐grafted free base porphyrins for water oxidation: A challenging test case for DFT and TD‐DFT.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 29, p. 2530, doi. 10.1002/jcc.26027
- By:
- Publication type:
- Article
Adsorption of Toluene and Water over Cationic-Exchanged Y Zeolites: A DFT Exploration.
- Published in:
- Molecules, 2021, v. 26, n. 18, p. 5486, doi. 10.3390/molecules26185486
- By:
- Publication type:
- Article
Investigation of tautomerism of 1,3,5-triazine derivative, stability, and acidity of its tautomers from density functional theory.
- Published in:
- Journal of Molecular Modeling, 2021, v. 27, n. 5, p. 1, doi. 10.1007/s00894-021-04774-5
- By:
- Publication type:
- Article