Search publications
Advanced search
Search results
7021 results: 6978 articles and 43 books or book chapters
Last updated: Mar 03, 2026-
281
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). -
282
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). -
283
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). -
284
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). -
285
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). -
286
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). -
287
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). -
288
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). -
289
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). -
290
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). -
291
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). -
292
Quantum geometry and adiabaticity in molecules and in condensed matter
Raffaele Resta
J. Chem. Phys. 162, 234102 (2025). -
293
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). -
294
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). -
295
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). -
296
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). -
297
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). -
298
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). -
299
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). -
300
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).