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548 results: 544 articles and 4 books or book chapters

1. 181 Piercing molecular graphenes: precision synthesis and photophysics of NBN-edged porous molecular carbons
   Y. Yu, A. Izu, J. M. Marin Beloqui, S. Rana, K. S. Mali, S. De Feyter, D. Casanova, J. Casado, and J. Liu
   J. Am. Chem. Soc. 147, 20098 (2025).
2. 182 Evidence of ferroelectric distortions in topological crystalline insulators via transverse thermoelectric measurements
   P. Negi, B. He, D. Ukolov, S. Horta, K. Maji, N. Mao, N. Peshcherenko, P. Yanda, M. Yao, M. Dutta, I. Robredo, M. Iraola, M. G. Vergniory, P. Lemmens, Y. Zhang, C. Shekhar, M. Ibanez, C. Felser, and S. Roychowdhury
   J. Am. Chem. Soc. 147, 18704 (2025).
3. 183 False alarm rate-based statistical detection limit for astronomical photon detectors
   A. W. K. Lau, L. W. H. Fung, and G. F. Smoot
   J. Astron. Telesc. Instrum. Syst. 11, 028007 (2025).
4. 184 Chronic treatment with adenosine A1 receptor antagonist promotesneurogenesis and improves outcome after cerebral ischemia
   M. Ardaya, M. Benito-Munoz, E. Rubio-Lopez, M. Garbizu, L. Aguado, N. Mocha-Munoz, L. Iglesias, U. Aldutzin, C. Matute, F. N. Soria, V. Gomez-Vallejo, A. Garcia-Etxarri, J. Llop, F. Cavaliere, and A. Martin
   J. Cereb. Blood Flow Metab. 45, 2016 (2025).
5. 185 Longitudinal imaging evaluation of the inflammatory role of purinergicA2A 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. 46, 456 (2025).
6. 186 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).
7. 187 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).
8. 188 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).
9. 189 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).
10. 190 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).
11. 191 Quantum geometry and adiabaticity in molecules and in condensed matter
    Raffaele Resta
    J. Chem. Phys. 162, 234102 (2025).
12. 192 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).
13. 193 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).
14. 194 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).
15. 195 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).
16. 196 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).
17. 197 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).
18. 198 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).
19. 199 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).
20. 200 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).