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6323 results: 6283 articles and 40 books or book chapters

1. 1081 High-Pressure Reaction Profiles and Activation Volumes of 1,3-Cyclohexadiene Dimerizations Computed by the Extreme Pressure-Polarizable Continuum Model (XP-PCM)
   B. Chen, K. N. Houk, and R. Cammi
   Chem.-Eur. J. 28, e202200246 (2022).
2. 1082 Theory of Exciton Dynamics in Thermally Activated Delayed Fluorescence
   A. Carreras, and D. Casanova
   ChemPhotoChem 6, e202200066 (2022).
3. 1083 Experiment and Theory Clarify: Sc+ Receives One Oxygen Atom from SO2 to Form ScO+, which Proves to be a Catalyst for the Hidden Oxygen-Exchange with SO2
   J. M. Mercero, E. Rezabal, J. M. Ugalde, T. Weiske, and J. Li
   ChemPhysChem 23, e202100773 (2022).
4. 1084 Diastereoselectivity on Intramolecular Alder-ene Reaction of 1,6-Dienes
   A. de Cozar
   ChemPhysChem 23, e202200377 (2022).
5. 1085 Proton and Lithium Cations Linked to pi-Electron and sigma-Electron Systems: Are Such Interactions beyond or within the Definition of Hydrogen/Lithium Bond?
   S. Gholami, M. Aarabi, and S. J. Grabowski
   ChemPhysChem 23, e202200273 (2022).
6. 1086 Ultimate speed limits to the growth of operator complexity
   N. Hornedal, N. Carabba, A. S. Matsoukas-Roubeas, and A. del Campo
   Commun. Phys. 5, 207 (2022).
7. 1087 Kibble-Zurek mechanism for nonequilibrium phase transitions in driven systems with quenched disorder
   C. J. O. Reichhardt, A. del Campo, and C. Reichhardt
   Commun. Phys. 5, 173 (2022).
8. 1088 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).
9. 1089 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).
10. 1090 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).
11. 1091 pi-Hole Tetrel Bonds-Lewis Acid Properties of Metallylenes
    S. J. Grabowski
    Crystals 12, 112 (2022).
12. 1092 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).
13. 1093 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).
14. 1094 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).
15. 1095 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).
16. 1096 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).
17. 1097 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).
18. 1098 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).
19. 1099 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).
20. 1100 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).