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6579 results: 6539 articles and 40 books or book chapters

1. 61 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).
2. 62 Attosecond dynamics of electron scattering by an absorbing layer
   R. O. Kuzian, and E. E. Krasovskii
   J. Electron Spectrosc. Relat. Phenom. 280, 147535 (2025).
3. 63 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).
4. 64 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).
5. 65 Optical and excitonic properties of calcite CaCO3
   J. Janovec, J. S. Dolado, and A. Ayuela
   J. Mater. Chem. C 13, 6267 (2025).
6. 66 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).
7. 67 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).
8. 68 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).
9. 69 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).
10. 70 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).
11. 71 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).
12. 72 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).
13. 73 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).
14. 74 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).
15. 75 Clustering and nanoscale vitrimeric behavior in telechelic polybutadiene model vitrimers
    A. Alegria, A. Arbe, J. Colmenero, N. Patelis, S. Bhaumik, M. Zhou, and N. Hadjichristidis
    Macromolecules 58, 3407 (2025).
16. 76 A sustainable approach to energy storage in buildings: the first rechargeable geopolymer-based battery
    V. M. Kovrugin, L. Guerlou-Demourgues, L. Croguennec, J. S. Dolado, and C. Aymonier
    Mater. Horizons , (2025).
17. 77 Reviewing numerical studies on sensible thermal energy storage in cementitious composites: report of the RILEM TC 299-TES
    M. Rahjoo, A. Caggiano, U. Berardi, A. Prabhu, and J. S. Dolado
    Mater. Struct. 58, 40 (2025).
18. 78 Reactive molecular dynamics based multiaxial failure analysis of jennite
    P. K. Sarkar, N. Mitra, and J. S. Dolado
    Materialia 39, 102368 (2025).
19. 79 Pure gravitational wave estimation of Hubble's constant using neutron star-black hole mergers
    L. W. H. Fung, T. Broadhurst, and G. F. Smoot
    Mon. Not. Roy. Astron. Soc. 538, 711 (2025).
20. 80 Large-scale dual AGN in large-scale cosmological hydrodynamical simulations
    C. Puerto-Sanchez, M. Habouzit, M. Volonteri, Y. Ni, A. Foord, D. Angles-Alcazar, N. Chen, P. Guetzoyan, R. Dave, T. Di Matteo, Y. Dubois, M. Koss, and Y. Rosas-Guevara
    Mon. Not. Roy. Astron. Soc. 536, 3016 (2025).