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548 results: 544 articles and 4 books or book chapters

1. 201 State-interaction approach for g-matrix calculations in TDDFT: Ground-excited state couplings and beyond first-order spin-orbit effects
   A. Cebreiro-Gallardo, and D. Casanova
   J. Chem. Theory Comput. 21, 6528 (2025).
2. 202 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).
3. 203 Correlation-driven spin-component-scaled second-order Møller-Plesset perturbation theory (CD-SCS-MP2)
   A. Paulau, L. Soriano-Agueda, and E. Matito
   J. Chem. Theory Comput. 21, 9601 (2025).
4. 204 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).
5. 205 Energy and real space characteristics of non-covalent interactions across the periodic table
   E. Desmedt, K. Zator, T. Woller, R. A. Boto, M. Alonso, and J. Contreras-garcia
   J. Comput. Chem. 46, e70268 (2025).
6. 206 J-PAS: forecasting constraints on neutrino masses
   G. Rodrigues, A. J. Cuesta, J. Alcaniz, M. A. Resco, A. L. Maroto, M. Masip, J. G. Rodrigues, F. B. M. dos Santos, J. de C. Perez, J. E. Garcia-Farieta, C. Siqueira, F. Qin, Y. Wang, G. -B. Zhao, C. Hernandez-Monteagudo, V. Marra, R. Abramo, N. Benitez, S. Bonoli, S. Carneiro, et al.
   J. Cosmol. Astropart. Phys. 12, 047 (2025).
7. 207 The lifespan of our universe
   H. N. Luu, Y. -C. Qiu, and S. -H. H. Tye
   J. Cosmol. Astropart. Phys. 2025, 055 (2025).
8. 208 Attosecond dynamics of electron scattering by an absorbing layer
   R. O. Kuzian, and E. E. Krasovskii
   J. Electron Spectrosc. Relat. Phenom. 280, 147535 (2025).
9. 209 Probing the general axion-nucleon interaction in water Cherenkovexperiments
   M. Cavan-Piton, D. Guadagnoli, A. Iohner, P. Fernandez-Menendez, and L. Vittorio
   J. High Energy Phys. 2025, 70 (2025).
10. 210 Reconstructing neutrinoless double beta decay event kinematics in axenon gas detector with vertex tagging
    M. Martinez-Vara, K. Mistry, F. Pompa, B. J. P. Jones, J. Martin-Albo, M. Sorel, C. Adams, H. Almazan, V. Ivarez, B. Aparicio, A. I. Aranburu, L. Arazi, I. J. Arnquist, F. Auria-Luna, S. Ayet, C. D. R. Azevedo, K. Bailey, F. Ballester, M. del Barrio-Torregrosa, A. Bayo, et al.
    J. High Energy Phys. 2025, 170 (2025).
11. 211 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).
12. 212 Cryogenic cesium iodide as a potential PET material
    S. R. Soleti, A. Castillo, M. del Barrio-Torregrosa, C. Echeverria, M. Seemann, D. Zerzion, J. J. G. Cadenas, and J. I. Collar
    J. Instrum. 20, P06038 (2025).
13. 213 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).
14. 214 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).
15. 215 Experimental and theoretical insights into light confinement within 2Dwaveguides of alkylphenyl benzothiadiazole crystals
    I. Torres-Moya, M. A. Uddin, S. Gamez-Valenzuela, J. Alvarez-Conde, J. Cabanillas-Gonzalez, A. L. Montero-Alejo, A. M. Rodriguez, L. A. Montero-Cabrera, M. C. Ruiz Delgado, B. Gomez-Lor, and P. Prieto
    J. Mater. Chem. C 13, 17056 (2025).
16. 216 A comprehensive study on A2PdH2: from ambient tohigh pressure
    Z. Alizadeh, Y. -W. Fang, I. Errea, and M. R. Mohammadizadeh
    J. Mater. Chem. C 13, 23221 (2025).
17. 217 Optical and excitonic properties of calcite CaCO3
    J. Janovec, J. S. Dolado, and A. Ayuela
    J. Mater. Chem. C 13, 6267 (2025).
18. 218 Exploring the structural relaxation in 2-ethyl-1-hexanol by neutron spin echo: from intermolecular and supramolecular correlations to long-range density fluctuations
    S. Arrese-Igor, J. Colmenero, J. Allgaier, M.D. Ruiz-Martín, B. Farago and, A. Arbe.
    J. Mol. Liq. 438, 128600 (2025).
19. 219 Thermodynamic model for the structure of Nd doped phosphate laser glasses and the neodymium chemistry influence on their emission properties
    A. Lopez-Grande, J. Azkargorta, I. Iparraguirre, G. Tricot, S. Garcia-Revilla, J. Fernandez, R. Balda, and F. Munoz
    J. Non-Cryst. Solids 668, 123779 (2025).
20. 220 WikiTextGraph: A python tool for parsing multilingual wikipedia text and graph extraction
    Paschalis Agapitos, Juan-Luis Suárez, and Gustavo Ariel Schwartz
    J. Open Res. Softw. 13, 17 (2025).