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194 results: 194 articles and 0 books or book chapters

1. 61 Long-term memory in lipid assemblies: Rate-independent hysteresis in the ripple-to-liquid-disordered transition of sphingomyelin bilayers
   P. Llombart, I. de la Arada, E. J. Gonzalez-Ramirez, A. Alonso, L. G. MacDowell, and F. M. Goni
   J. Chem. Phys. 162, 135101 (2025).
2. 62 Femtosecond laser-induced diffusion and desorption of CO adsorbed on a weak electron-phonon coupling surface: Cu(110)
   F. J. Gonzalez, A. S. Muzas, J. I. Juaristi, M. Alducin, and H. F. Busnengo
   J. Chem. Phys. 162, 174701 (2025).
3. 63 Efficient energy measurement of chemical systems via one-particle reduced density matrix: a NOF-VQE approach for optimized sampling
   J. F. H. Lew-Yee, and M. Piris
   J. Chem. Theory Comput. 21, 2402 (2025).
4. 64 Magnetic properties, spin-vibration couplings, and temperature effects in phenalenyl and triangulene
   A. Omist, A. Cebreiro-Gallardo, M. Hugget, R. A. Boto, and D. Casanova
   J. Chem. Theory Comput. 21, 1153 (2025).
5. 65 Clarification of some bonding concepts: Virial theorem, electron pair repulsion, and rotational barriers
   W. H. E. Schwarz, G. Frenking, and S. Pan
   J. Comput. Chem. 46, e70085 (2025).
6. 66 Attosecond dynamics of electron scattering by an absorbing layer
   R. O. Kuzian, and E. E. Krasovskii
   J. Electron Spectrosc. Relat. Phenom. 280, 147535 (2025).
7. 67 Designing mimosine-containing peptides as efficient metal chelators: Insights from molecular dynamics and quantum calculations
   D. Silva-Brea, J. Aduriz-Arrizabalaga, D. De Sancho, and X. Lopez
   J. Inorg. Biochem. 264, 112807 (2025).
8. 68 Analysis of microstructural, electronic and magnetic properties of nanocrystalline compound Sm2ZrCo16: effects of annealing temperature and role of intergranular exchange coupling
   R. Fersi, A. Reinhold, A. Pereira, and A. P. Dalia
   J. Magn. Magn. Mater. 626, 173085 (2025).
9. 69 A carnitine-based BODIPY photosensitizer
   L. Maierhofer, R. Prieto-Montero, T. Cubiella, A. Diaz-Andres, N. Morales-Benitez, D. Casanova, V. Martinez-Martinez, M. -D. Chiara, E. Mann, and J. L. Chiara
   J. Mat. Chem. B 13, 4330 (2025).
10. 70 Optical and excitonic properties of calcite CaCO3
    J. Janovec, J. S. Dolado, and A. Ayuela
    J. Mater. Chem. C 13, 6267 (2025).
11. 71 Computational analysis of the Lewis acid-catalyzed zwitterionic ring-expansion polymerization (ZREP) of monosubstituted ethylene oxide
    X. Gastearena, F. Barroso-Bujans, F. Ruiperez, and J. M. Matxain
    J. Org. Chem. 90, 2592 (2025).
12. 72 Ru-Sn and Ru-Os mixed-metal clusters bearing heterocyclic thiolate ligand(s): Synthesis, crystal and electronic structures
    M. M. Hossain, V. N. Nesterov, G. Hogarth, G. E. Pieslinger, S. E. Kabir, and S. Ghosh
    J. Organomet. Chem. 1031, 123593 (2025).
13. 73 Artificial intelligence for advanced functional materials: exploring current and future directions
    C. Malica, K. S. Novoselov, A. S. Barnard, V. Kalinin, S. R. Spurgeon, K. Reuter, M. Alducin, V. L. Deringer, G. Csanyi, N. Marzari, S. Huang, G. Cuniberti, Q. Deng, P. Ordejon, I. Cole, K. Choudhary, K. Hippalgaonkar, R. Zhu, O. A. von Lilienfeld, M. Hibat-Allah, et al.
    J. Phys-Mater. 8, 021001 (2025).
14. 74 Oligothiophene-based photovoltaic materials for organic solar cells: Exciton properties by the CNDOL Fockian approach
    A. Guerra-Barroso, Y. Perez-Badell, A. L. Montero-Alejo, and L. A. Montero-Cabrera
    J. Phys. Chem. A 129, 3202 (2025).
15. 75 Second harmonic response of azobenzene self-assembled monolayers: the effect of push/pull substitution
    A. Dellai, L. Muccioli, F. Castet, and C. Tonnele
    J. Phys. Chem. C 129, 8417 (2025).
16. 76 Highly oriented nitrogen-doped flower-like ZnO nanostructures for boosting photocatalytic and photoelectrochemical performance: a combined experimental and DFT study
    R. R. Wary, A. Das, E. S. Amirov, D. Liu, S. Gumber, E. A. Kazakova, A. S. Vasenko, and O. V. Prezhdo
    J. Phys. Chem. Lett. , (2025).
17. 77 Ab Initio atomistic characterization of confined bulk and Bennett plasmons in metallic nanoparticles as probed by penetrating electrons
    B. Candelas, M. Urbieta, A. Babaze, E. Ogando, A. G. Borisov, N. Zabala, and J. Aizpurua
    J. Phys. Chem. Lett. 16, 2965 (2025).
18. 78 Polarizability, plasmons and damping in pseudospin-1 gapped materials with a flat band
    L. Zhemchuzhna, A. Iurov, G. Gumbs, and D. Huang
    J. Phys.-Condes. Matter 37, 085701 (2025).
19. 79 3DCryoHolder: a new open access 3D printable system to store and transport silicon nitride membranes under cryogenic conditions for spectromicroscopy at low temperature
    A. Dominguez-Alfaro, and C. Sanchez-Cano
    J. Synchrot. Radiat. 32, 225 (2025).
20. 80 Varying the core topology in all-glycidol hyperbranched polyglycerols: synthesis and physical characterization
    C. A. Pagnacco, A. Alvarez-Fernandez, A. Maestro, E. G. de San Roman, R. Lund, and F. Barroso-Bujans
    Macromol. Rapid Commun. 46, 2400791 (2025).