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6939 results: 6901 articles and 38 books or book chapters

1. 201 Longitudinal imaging evaluation of the inflammatory role of purinergic A2A receptors during subacute and chronic ischemic stroke
   M. Garbizu, N. Mocha-Munoz, E. Rubio-Lopez, L. Palacios, L. Aguado, M. Ardaya, A. Joya, U. Alduntzin, S. Plaza-Garcia, D. Padro, V. Gomez-Vallejo, U. Cossio, M. Higuchi, P. Ramos-Cabrer, J. L. Zugaza, J. Llop, and A. Martin
   J. Cereb. Blood Flow Metab. , (2025).
2. 202 Dynamic training enhances machine learning potentials for long-lasting molecular dynamics
   I. Zugec, T. H. Veljkovic, M. Alducin, and J. I. Juaristi
   J. Chem Inf. Model. 95, 8033 (2025).
3. 203 Machine learning approach for predicting drug-like molecules targeting calmodulin pathway proteins
   M. Baltasar-Marchueta, N. Lopez, S. Alicante, I. Barbolla, M. Garcia Ibarluzea, R. Ramis, A. M. Salomon, A. Muguruza-Montero, E. Nunez Viadero, A. Leonardo, S. Arrasate, N. Sotomayor, M. M. Montemore, A. Villarroel, A. Bergara, E. Lete, and H. Gonzalez-Diaz
   J. Chem Inf. Model. 65, 11892 (2025).
4. 204 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).
5. 205 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).
6. 206 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).
7. 207 Quantum geometry and adiabaticity in molecules and in condensed matter
   Raffaele Resta
   J. Chem. Phys. 162, 234102 (2025).
8. 208 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).
9. 209 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).
10. 210 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).
11. 211 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).
12. 212 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).
13. 213 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).
14. 214 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).
15. 215 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).
16. 216 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).
17. 217 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).
18. 218 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).
19. 219 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).
20. 220 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).