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6923 results: 6885 articles and 38 books or book chapters

1. 1701 First principles calculations of the inorganic halide perovskite RbSnBr3: Optical and thermoelectric properties of its three phases
   S. Bouchikhi, K. Benyahia, R. Mehyaoui, and A. Touia
   Comput. Condens. Matter 33, e00761 (2022).
2. 1702 IrRep: Symmetry eigenvalues and irreducible representations of ab initioband structures
   M. Iraola, J. L. Manes, B. Bradlyn, M. K. Horton, T. Neupert, M. G. Vergniory, and S. S. Tsirkin
   Comput. Phys. Commun. 272, 108226 (2022).
3. 1703 Impact of Charge-Resonance Excitations on CT-Mediated J-Type Aggregationin Singlet and Triplet Exciton States of Perylene Di-Imide Aggregates: ATDDFT Investigation
   Y. Dai, M. Zubiria-Ulacia, D. Casanova, and F. Negri
   Computation 10, 18 (2022).
4. 1704 pi-Hole Tetrel Bonds-Lewis Acid Properties of Metallylenes
   S. J. Grabowski
   Crystals 12, 112 (2022).
5. 1705 Ni(i)-TPA stabilization by hydrogen bond formation on the second coordination sphere: a DFT characterization
   S. Posada-Perez, S. Escayola, J. Poater, M. Sola, and A. Poater
   Dalton Trans. 51, 12585 (2022).
6. 1706 Slow magnetic relaxation in Fe(II) m-terphenyl complexes
   A. J. Valentine, A. M. Geer, T. J. Blundell, W. Tovey, M. J. Cliffe, E. S. Davies, S. P. Argent, W. Lewis, J. McMaster, L. J. Taylor, D. Reta, and D. L. Kays
   Dalton Trans. 51, 18118 (2022).
7. 1707 Study of the DNA binding mechanism and in vitro activity against cancercells of iron(iii) and aluminium(iii) kojic acid derivative complexes
   I. Lachowicz, A. Mateddu, P. Coni, C. Caltagirone, S. Murgia, D. Gibson, G. dalla Torre, X. Lopez, F. Meloni, and G. Pichiri
   Dalton Trans. 51, 6254 (2022).
8. 1708 Optoelectronic properties of a self-assembling rigidly-linked BF2-curcuminoid bichromophore
   C. Tonnele, M. Catherin, M. Giorgi, G. Canard, D. Casanova, F. Castet, E. Zaborova, and F. Fages
   Dyes Pigment. 207, 110677 (2022).
9. 1709 Identification and measurement of tropical tuna species in purse seiner catches using computer vision and deep learning
   X. Lekunberri, J. Ruiz, I. Quincoces, F. Dornaika, I. Arganda-Carreras, and J. A. Fernandes
   Ecol. Inform. 67, 101495 (2022).
10. 1710 Comments on ''What is the radiation before 5G? A correlation study between measurements in situ and in real time and epidemiological indicators in Vallecas, Madrid''
    A. Najera, R. Ramis, F. Las-Heras Andes, C. Garcia-Pardo, J. I. Alonso, J. Gonzalez-Rubio, A. Hernando, J. Lafuente Martinez, and F. Vargas Marco
    Environ. Res. 212, 113314 (2022).
11. 1711 Unconventional and Sustainable Synthesis of Polymethine Dyes: CriticalOverview and Perspectives within the Framework of the Twelve Principlesof Green Chemistry
    A. Antenucci, S. Nejrotti, M. J. M. Plata, N. Mariotti, and N. Barbero
    Eur. J. Org. Chem. 2022, e202200943 (2022).
12. 1712 Reactivity of B(C6F5)(3) towards glycidol: The formation of branched cyclic polyglycidol structures
    M. A. Al Assiri, E. G. Urreizti, C. A. Pagnacco, E. G. de San Roman, and F. Barroso-Bujans
    Eur. Polym. J. 171, 111194 (2022).
13. 1713 Can aluminum, a non-redox metal, alter the thermodynamics of key biological redox processes? The DPPH-QH(2) radical scavenging reaction as a test case
    J. Lanuza, V. Postils, and X. Lopez
    Free Radic. Biol. Med. 179, 200 (2022).
14. 1714 Application of historic datasets to understanding open solar flux and the 20th-century grand solar maximum. 2. Solar observations
    M. Lockwood, M. J. Owens, S. L. Yardley, I. O. I. Virtanen, A. R. Yeates, and A. Munoz-Jaramillo
    Front. Astron. Space Sci. 9, 976444 (2022).
15. 1715 Statistical Atlases and Automatic Labeling Strategies to Accelerate the Analysis of Social Insect Brain Evolution
    S. Arganda, I. Arganda-Carreras, D. G. Gordon, A. P. Hoadley, A. Perez-Escudero, M. Giurfa, and J. F. A. Traniello
    Front. Ecol. Evol. 9, 745707 (2022).
16. 1716 Combined DFT and MD Simulation Protocol to Characterize Self-Healing Properties in Disulfide-Containing Materials: Polyurethanes and Polymethacrylates as Case Studies
    M. Irigoyen, J. M. Matxain, and F. Ruiperez
    Front. Mater. 9, 859482 (2022).
17. 1717 Synthesis of Novel Hyaluronic Acid Sulfonated Hydrogels Using SafeReactants: A Chemical and Biological Characterization
    E. Sturabotti, S. Consalvi, L. Tucciarone, E. Macri, V. Di Lisio, I. Francolini, C. Minichiello, A. Piozzi, C. Vuotto, and A. Martinelli
    Gels 8, 480 (2022).
18. 1718 Studies of the Temperature Dependence of the Structure and Magnetism of a Hexagonal-Bipyramidal Dysprosium(III) Single-Molecule Magnet
    Y-S. Ding, W. J. A. Blackmore, Y-Q. Zhai, M. J. Giansiracusa, D. Reta, I. Vitorica-Yrezabal, R. E. P. Winpenny, N. F. Chilton, and Y-Z. Zheng
    Inorg. Chem. 61, 227 (2022).
19. 1719 Prediction of Strong Transversal s(TE) Exciton-Polaritons in C-60 Thin Crystalline Films
    V. Despoja, and L. Marusic
    Int. J. Mol. Sci. 23, 6943 (2022).
20. 1720 Thymosin beta 4 Is an Endogenous Iron Chelator and Molecular Switcher of Ferroptosis
    J. I. Lachowicz, G. Pichiri, M. Piludu, S. Fais, G. Orru, T. Congiu, M. Piras, G. Faa, D. Fanni, G. Dalla Torre, X. Lopez, K. Chandra, K. Szczepski, L. Jaremko, M. Ghosh, A. -H. Emwas, M. Castagnola, M. Jaremko, E. Hannappel, and P. Coni, et al.
    Int. J. Mol. Sci. 23, 551 (2022).