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6994 results: 6951 articles and 43 books or book chapters

1. 261 Computational analysis of a next-generation platinum-based chemotherapies that Induce DNA double-strand breaks
   A. R. Guimaraes, O. R. Ballesteros, I. Rivilla, I. Olaizola, M. Odriozola-Gimeno, A. de Cozar, D. de Sancho, X. Lopez, J. M. Banales, and F. P. Cossio
   J. Chem Inf. Model. 66, 668 (2025).
2. 262 Modeling and elucidating the behavior of a thermoresponsive LCST ionic liquid
   H. O. Mohammed, A. de Cozar, and R. Zangi
   J. Chem Inf. Model. 65, 785 (2025).
3. 263 Resolving molecular interactions in protein folding trajectories with NCIPLOT
   A. Urriolabeitia, J. Contreras-Garcia, D. De Sancho, and X. Lopez
   J. Chem Inf. Model. 65, 10613 (2025).
4. 264 Quantum geometry and adiabaticity in molecules and in condensed matter
   Raffaele Resta
   J. Chem. Phys. 162, 234102 (2025).
5. 265 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).
6. 266 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).
7. 267 The glass transition and the dynamics of water within pectin and metal-organic framework nanochannels
   F. Coin, V. Di Lisio, D. Cangialosi, and S. Cerveny
   J. Chem. Phys. 163, 164507 (2025).
8. 268 Temperature induced metallicity of the Si(001) surface: Insights from molecular dynamics simulations with machine learned interatomic potentials
   S. Joshi, J. Janisch, D. Le, and T. S. Rahman
   J. Chem. Phys. 163, 244708 (2025).
9. 269 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).
10. 270 Toward a formulation of a CISS theory with the inclusion of two-particle relativistic effects, electron-phonon coupling, and electron-electron correlation. An application to NMR-based chiral discrimination
    E. V. Ludena, J. M. Ugalde, X. Lopez, L. -S. Bouchard, and V. Mujica
    J. Chem. Phys. 163, 124119 (2025).
11. 271 Photoinduced dynamics of CO on Ru(0001): Understanding experiments by simulations with all degrees of freedom
    B. Mladineo, J. I. Juaristi, M. Alducin, P. Saalfrank, and I. Loncaric
    J. Chem. Phys. 163, 044103 (2025).
12. 272 Pruned-ADAPT-VQE: Compacting molecular ansatze by removing irrelevant operators
    N. Vaquero-Sabater, A. Carreras, and D. Casanova
    J. Chem. Theory Comput. 21, 8720 (2025).
13. 273 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).
14. 274 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).
15. 275 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).
16. 276 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).
17. 277 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).
18. 278 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).
19. 279 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).
20. 280 The lifespan of our universe
    H. N. Luu, Y. -C. Qiu, and S. -H. H. Tye
    J. Cosmol. Astropart. Phys. 2025, 055 (2025).