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142 results: 142 articles and 0 books or book chapters

1. 41 How many distinct and reliable multireference diagnostics are there?
   X. Xu, L. Soriano-Agueda, X. Lopez, E. Ramos-Cordoba, and E. Matito
   J. Chem. Phys. 162, 124102 (2025).
2. 42 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).
3. 43 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. 44 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. 45 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. 46 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. 47 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. 48 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 , (2025).
9. 49 Optical and excitonic properties of calcite CaCO3
   J. Janovec, J. S. Dolado, and A. Ayuela
   J. Mater. Chem. C 13, 6267 (2025).
10. 50 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).
11. 51 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).
12. 52 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 , (2025).
13. 53 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).
14. 54 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).
15. 55 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).
16. 56 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).
17. 57 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 , (2025).
18. 58 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).
19. 59 Reactive molecular dynamics based multiaxial failure analysis of jennite
    P. K. Sarkar, N. Mitra, and J. S. Dolado
    Materialia 39, 102368 (2025).
20. 60 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).