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415 results: 415 articles and 0 books or book chapters

1. 141 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).
2. 142 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).
3. 143 Chronic treatment with adenosine A1 receptor antagonist promotes neurogenesis 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. , (2025).
4. 144 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).
5. 145 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).
6. 146 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).
7. 147 Resolving molecular interactions in protein folding trajectories with NCIPLOT
   A. Urriolabeitia, J. Contreras-Garcia, D. De Sancho, and X. Lopez
   J. Chem Inf. Model. , (2025).
8. 148 Quantum geometry and adiabaticity in molecules and in condensed matter
   Raffaele Resta
   J. Chem. Phys. 162, 234102 (2025).
9. 149 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).
10. 150 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).
11. 151 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).
12. 152 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).
13. 153 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).
14. 154 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).
15. 155 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).
16. 156 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).
17. 157 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).
18. 158 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. , (2025).
19. 159 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).
20. 160 The lifespan of our universe
    H. N. Luu, Y. -C. Qiu, and S. -H. H. Tye
    J. Cosmol. Astropart. Phys. , 055 (2025).