Buscador de publicaciones
Búsqueda avanzada
Buscar resultados
538 results: 538 articles and 0 books or book chapters
Last updated: 16/01/2026-
181
On-surface synthesis of a ferromagnetic molecular spin trimer
A. Vegliante, M. Vilas-Varela, R. Ortiz, F. Romero Lara, M. Kumar, L. Gomez-Rodrigo, S. Trivini, F. Schulz, D. Soler-Polo, H. Ahmoum, E. Artacho, T. Frederiksen, P. Jelinek, J. I. Pascual, and D. Pena
J. Am. Chem. Soc. 147, 19530 (2025). -
182
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). -
183
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). -
184
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). -
185
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). -
186
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). -
187
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). -
188
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). -
189
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). -
190
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). -
191
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). -
192
Quantum geometry and adiabaticity in molecules and in condensed matter
Raffaele Resta
J. Chem. Phys. 162, 234102 (2025). -
193
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). -
194
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). -
195
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). -
196
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). -
197
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). -
198
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). -
199
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). -
200
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).