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6838 results: 6800 articles and 38 books or book chapters

1. 1601 Absence of isotope effects in the photo-induced desorption of CO from saturated Pd(111) at high laser fluence
   A. S. Muzas, A. Serrano Jimenez, J. Ovcar, I. Loncaric, M. Alducin, and J. Inaki Juaristi
   Chem. Phys. 558, 111518 (2022).
2. 1602 Cluster approach to scattering in MoS2 photoemission
   M. J. Ambrosio, E. Plesiat, P. Decleva, P. M. Echenique, R. D. Muino, and F. Martin
   Chem. Phys. 557, 111476 (2022).
3. 1603 O-2 on Ag(110): A puzzle for exchange-correlation functionals
   I. Loncaric, M. Alducin, and J. Inaki Juaristi
   Chem. Phys. 554, 111424 (2022).
4. 1604 Light-driven reduction of aromatic olefins in aqueous media catalysed by aminopyridine cobalt complexes
   C. Casadevall, D. Pascual, J. Aragon, A. Call, A. Casitas, I. Casademont-Reig, and J. Lloret-Fillol
   Chem. Sci. 13, 4270 (2022).
5. 1605 Metal substrate catalysis in the confined space for platinum drug delivery
   S. Velasco-Lozano, S. Alonso-de Castro, C. Sanchez-Cano, I. Benitez-Mateos, F. Lopez-Gallego, and L. Salassa
   Chem. Sci. 13, 59 (2022).
6. 1606 Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atoms
   J. Eeckhoudt, T. Bettens, P. Geerlings, R. Cammi, B. Chen, M. Alonso, and F. De Proft
   Chem. Sci. 13, 9329 (2022).
7. 1607 Unparalleled selectivity and electronic structure of heterometallic [LnLn ` Ln] molecules as 3-qubit quantum gates
   D. Maniaki, D. Garay-Ruiz, L. A. Barrios, D. O. T. A. Martins, D. Aguila, F. Tuna, D. Reta, O. Roubeau, C. Bo, and G. Aromi
   Chem. Sci. 13, 5574 (2022).
8. 1608 Enhancing Dual-State Emission in Maleimide Fluorophores through Fluorocarbon Functionalisation
   M. Pervez, A. K. Pearce, J. T. Husband, L. Male, M. Torrent-Sucarrat, and R. K. O'Reilly
   Chem.-Eur. J. 28, e202201877 (2022).
9. 1609 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).
10. 1610 Theory of Exciton Dynamics in Thermally Activated Delayed Fluorescence
    A. Carreras, and D. Casanova
    ChemPhotoChem 6, e202200066 (2022).
11. 1611 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).
12. 1612 Diastereoselectivity on Intramolecular Alder-ene Reaction of 1,6-Dienes
    A. de Cozar
    ChemPhysChem 23, e202200377 (2022).
13. 1613 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).
14. 1614 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).
15. 1615 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).
16. 1616 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).
17. 1617 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).
18. 1618 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).
19. 1619 pi-Hole Tetrel Bonds-Lewis Acid Properties of Metallylenes
    S. J. Grabowski
    Crystals 12, 112 (2022).
20. 1620 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).